WorldWideScience

Sample records for hydrogen fluoride adsorption

  1. An enhanced hydrogen adsorption enthalpy for fluoride intercalated graphite compounds.

    Science.gov (United States)

    Cheng, Hansong; Sha, Xianwei; Chen, Liang; Cooper, Alan C; Foo, Maw-Lin; Lau, Garret C; Bailey, Wade H; Pez, Guido P

    2009-12-16

    We present a combined theoretical and experimental study on H(2) physisorption in partially fluorinated graphite. This material, first predicted computationally using ab initio molecular dynamics simulation and subsequently synthesized and characterized experimentally, represents a novel class of "acceptor type" graphite intercalated compounds that exhibit significantly higher isosteric heat of adsorption for H(2) at near ambient temperatures than previously demonstrated for commonly available porous carbon-based materials. The unusually strong interaction arises from the semi-ionic nature of the C-F bonds. Although a high H(2) storage capacity (>4 wt %) at room temperature is predicted not to be feasible due to the low heat of adsorption, enhanced storage properties can be envisaged by doping the graphitic host with appropriate species to promote higher levels of charge transfer from graphene to F(-) anions.

  2. 49 CFR 173.163 - Hydrogen fluoride.

    Science.gov (United States)

    2010-10-01

    ... 49 Transportation 2 2010-10-01 2010-10-01 false Hydrogen fluoride. 173.163 Section 173.163... Hydrogen fluoride. (a) Hydrogen fluoride (hydrofluoric acid, anhydrous) must be packaged as follows: (1) In... filling ratio of 0.84. (b) A cylinder removed from hydrogen fluoride service must be condemned in...

  3. Anhydrous hydrogen fluoride electrolyte battery. [Patent application

    Science.gov (United States)

    Not Available

    1972-06-26

    It is an object of the invention to provide a primary cell or battery using ammonium fluoride--anhydrous hydrogen fluoride electrolyte having improved current and power production capabilities at low temperatures. It is operable at temperatures substantially above the boiling point of hydrogen fluoride. (GRA)

  4. On the Adsorption of Some Anionic Collectors on Fluoride Minerals

    DEFF Research Database (Denmark)

    Sørensen, Emil

    1973-01-01

    Test flotations have been carried out in a small apparatus under standardized conditions in order to determine the dependence of the flotation yield on the reagent concentration for certain minerals and anionic collectors. The results suggest that a special adsorption mechanism is operating...... in the case of fluoride minerals, and a theory is presented which involves the joint action of ionic and hydrogen bonds. A precondition is the compatibility of the crystal geometry with the configuration of the polar group of the collector molecules....

  5. Effects of hydrogen fluoride on plants

    Energy Technology Data Exchange (ETDEWEB)

    Yamazoe, F

    1970-07-15

    Symptoms of fluorosis in plants are chlorotic markings around the tip or edges of young leaves. Examples of damage to plants and livestock by fluorides are listed, including the retarded growth of silkworms fed on mulberry leaves polluted by more than 30 ppm fluorides. Plants can be classified into six groups according to their resistance to hydrogen fluoride. Threshold values of the fluoride concentration range from 5-10 ppb for the plants. Gladiolus is normally employed as a plant indicator for hydrogen fluoride and silkworms as indicator insects. The relationship between plant damage by fluorides and exposure time, density, soil, fertilizer, meteorology and location are examined. Several preventive measures are listed, including the spraying of water or lime on plant leaves. It is concluded that the establishment of an environmental standard is difficult because of the extremely high sensitivity of the plants to the gas. 8 references.

  6. Acute toxicity of uranium hexafluoride, uranyl fluoride and hydrogen fluoride

    International Nuclear Information System (INIS)

    Just, R.A.

    1988-01-01

    Uranium hexafluoride (UF 6 ) released into the atmosphere will react rapidly with moisture in the air to form the hydrolysis products uranyl fluoride (UO 2 F 2 ) and hydrogen fluoride (HF). Uranium compounds such as UF 6 and UO 2 F 2 exhibit both chemical toxicity and radiological effects, while HF exhibits only chemical toxicity. This paper describes the development of a methodology for assessing the human health consequences of a known acute exposure to a mixture of UF 6 , UO 2 F 2 , and HF. 4 refs., 2 figs., 5 tabs

  7. Adsorption and exhaustion device for gaseoue uranium fluorides

    International Nuclear Information System (INIS)

    Kida, Yasuo; Nakamura, Yuichi.

    1984-01-01

    Purpose: To prevent gaseous uranium fluorides from passing through the adsorption layer upon exhausting the gaseous uranium, fluorides from a uranium fluoride processing facility through adsorption traps, by controlling the flow rate of the gaseous uranium fluorides passing through the layer constant. Constitution: An adsorption trap is connected by way of pipeways to a uranium fluoride processing facility, and a flow rate detector for detecting the flow rate of gaseous uranium fluorides and a pressure gauge for detecting the pressure at the inlet of the adsorption trap are disposed to the pipeways. The setting value for the pressure control is calculated from the detection value of the flow rate detector by the pressure control gage. Then, an operation amount for the pressure control valve is calculated based on the deviatoin between the setting value for the pressure control and the inlet pressure at the adsorption trap. This enables to control the flow rate of the gaseous uranium fluorides passing through the adsorption layer always constant thereby enabling to prevent excess increase in the flow rate which results in damages in the adsorption layer. (Moriyama, K.)

  8. Hydrogen purification by periodic adsorption

    Energy Technology Data Exchange (ETDEWEB)

    Barg, Christian; Secchi, Argimiro R.; Trierweiler, Jorge O. [Rio Grande do Sul Univ., Porto Alegre, RS (Brazil). Dept. de Engenharia Quimica]. E-mail: cbarg@enq.ufrgs.br; arge@enq.ufrgs.br; jorge@enq.ufrgs.br

    2000-07-01

    The periodic adsorption processes have been widely used for industrial applications, mainly because it spends less energy than the usual gas separation processes, like the cryogenic distillation. The largest commercial application of periodic adsorption processes is the pressure swing adsorption (PSA) applied to hydrogen purification. Although its wide use in the chemical and petrochemical industry, there are no reports in the open literature about complete modeling studies of a complex commercial unit, with multiple adsorbents and multiple beds and several feed components. This study has as objective the modeling, optimization and dynamical analysis of an industrial PSA unit for hydrogen purification. (author)

  9. Equilibrium Studies of Fluoride Adsorption onto a Ferric Poly ...

    African Journals Online (AJOL)

    African countries along the Great Rift Valley are among areas of the world where excess fluoride in water sources is a major public health problem. In this work, the removal of fluoride (F) from water solutions using a ferric poly-mineral (FPM) from Kenya was therefore studied using batch adsorption experiments. The effect of ...

  10. ADSORPTIVE REMOVAL OF FLUORIDE FROM WATER USING ...

    African Journals Online (AJOL)

    Preferred Customer

    Currently available treatment methods for removal of excess fluoride from water are broadly divided into three ... the application of nanoparticles as sorbents for fluoride removal. Sundaram [26] studied the ... Characterization of adsorbent.

  11. Unusual hydrogen bonding in L-cysteine hydrogen fluoride.

    Science.gov (United States)

    Minkov, V S; Ghazaryan, V V; Boldyreva, E V; Petrosyan, A M

    2015-08-01

    L-Cysteine hydrogen fluoride, or bis(L-cysteinium) difluoride-L-cysteine-hydrogen fluoride (1/1/1), 2C3H8NO2S(+)·2F(-)·C3H7NO2S·HF or L-Cys(+)(L-Cys···L-Cys(+))F(-)(F(-)...H-F), provides the first example of a structure with cations of the 'triglycine sulfate' type, i.e. A(+)(A···A(+)) (where A and A(+) are the zwitterionic and cationic states of an amino acid, respectively), without a doubly charged counter-ion. The salt crystallizes in the monoclinic system with the space group P2(1). The dimeric (L-Cys···L-Cys(+)) cation and the dimeric (F(-)···H-F) anion are formed via strong O-H···O or F-H···F hydrogen bonds, respectively, with very short O···O [2.4438 (19) Å] and F···F distances [2.2676 (17) Å]. The F···F distance is significantly shorter than in solid hydrogen fluoride. Additionally, there is another very short hydrogen bond, of O-H···F type, formed by a L-cysteinium cation and a fluoride ion. The corresponding O···F distance of 2.3412 (19) Å seems to be the shortest among O-H···F and F-H···O hydrogen bonds known to date. The single-crystal X-ray diffraction study was complemented by IR spectroscopy. Of special interest was the spectral region of vibrations related to the above-mentioned hydrogen bonds.

  12. Hydrogen Adsorption on Nanoporous Biocarbon

    Science.gov (United States)

    Wood, M. B.; Burress, J. W.; Lapilli, C. M.; Pfeifer, P.; Shah, P. S.; Suppes, G. J.; Dillon, A. C.; Parilla, P. A.

    2007-03-01

    As a part of the Alliance for Collaborative Research in Alternative Fuel Technology (http://all-craft.missouri.edu) we study activated carbons made from corncob, optimized for storing methane and hydrogen (H2) by physisorption at low pressure. We report here: (a) storage capacities of 73-91 g H2/kg carbon at 77 K and 47 bar, validated in three different laboratories (the 2010 DOE target is 60 g H2/kg system); (b) binding energies from H2 adsorption isotherms (c) temperature-programmed desorption data; (d) degree of graphitization of the carbon surface from Raman spectra; (e) pore structure of carbon from nitrogen and methane adsorption isotherms, and small-angle x-ray scattering. The structural analysis shows that the carbon is highly microporous and that the pore space is highly correlated (micropores do not scatter independently).

  13. A Review on Adsorption of Fluoride from Aqueous Solution

    Science.gov (United States)

    Habuda-Stanić, Mirna; Ergović Ravančić, Maja; Flanagan, Andrew

    2014-01-01

    Fluoride is one of the anionic contaminants which is found in excess in surface or groundwater because of geochemical reactions or anthropogenic activities such as the disposal of industrial wastewaters. Among various methods used for defluoridation of water such as coagulation, precipitation, membrane processes, electrolytic treatment, ion-exchange, the adsorption process is widely used. It offers satisfactory results and seems to be a more attractive method for the removal of fluoride in terms of cost, simplicity of design and operation. Various conventional and non-conventional adsorbents have been assessed for the removal of fluoride from water. In this review, a list of various adsorbents (oxides and hydroxides, biosorbents, geomaterials, carbonaceous materials and industrial products and by-products) and its modifications from literature are surveyed and their adsorption capacities under various conditions are compared. The effect of other impurities on fluoride removal has also been discussed. This survey showed that various adsorbents, especially binary and trimetal oxides and hydroxides, have good potential for the fluoride removal from aquatic environments. PMID:28788194

  14. Thermodynamic and topochemical aspects of the adsorption of some gaseous fluorides and solid fluorides

    International Nuclear Information System (INIS)

    Le Gressus, Claude

    1968-01-01

    This research thesis addresses the study of chemical adsorption. Such an adsorption is limited to a mono-molecular layer. As the Order Disorder Theory (ODT) allows adsorption isotherms to be calculated while taking interaction between adsorbed molecules into account, this research reports a comparison between the shape of experimental isotherms and that of theoretical isotherms. The knowledge of the involved phenomena is completed by the measurement of adsorption differential heats. After some generalities and a brief presentation of the ODT, the author presents experimental installations and techniques (micro-calorimeter, Mac-Bain balance), describes the adsorbent pre-treatment, reports the analysis performed by micro-sublimation, reports the study of the adsorption of hydrofluoric acid on CaF 2 , highlights the existence of different cases of energies increasing with the overlay rate, reports the detailed study of adsorption isotherms of ClF 3 and UF 6 on various solid fluorides. Results are finally interpreted and discussed

  15. Development of a hydrogen fluoride laser

    International Nuclear Information System (INIS)

    Schilling, P.

    1974-01-01

    A hydrogen fluoride laser with variable pulse width (9 to 25 ns) was developed for measurements of shortlived dense plasmas. This multi-line laser with lambda approximately 2.9 μm operates without an optical pulse cutting system. Peak power of the pulses is about 400 kW. Measurements concerning dependence of FWHA, peak power and energy yield were carried out. Combined with an amplifier of 1 m length, peak power up to 13 MW and energies up to 0.5 J are attained. With this system, time dependence of the power amplification in the amplifier was tested for various gas mixtures. Furthermore preliminary measurements with time-resolved schlieren interferometry with this system are discussed. A plasma focus device was used as test object. (orig.) [de

  16. The uptake of hydrogen fluoride by a forest

    International Nuclear Information System (INIS)

    Murphy, C.E. Jr.

    1980-01-01

    A mathematical model of hydrogen fluoride (HF) deposition and accumulation of fluoride in a Eucalyptus rostrata forest has been developed. The model is based on tree physiology and meteorological principles. The data base for the model was derived from a literature survey of the physiological characteristics of E. rostrata and similar eucalyptus species and from current knowledge of meteorological processes in plant canopies

  17. Selective Adsorption of Sodium Aluminum Fluoride Salts from Molten Aluminum

    Energy Technology Data Exchange (ETDEWEB)

    Leonard S. Aubrey; Christine A. Boyle; Eddie M. Williams; David H. DeYoung; Dawid D. Smith; Feng Chi

    2007-08-16

    Aluminum is produced in electrolytic reduction cells where alumina feedstock is dissolved in molten cryolite (sodium aluminum fluoride) along with aluminum and calcium fluorides. The dissolved alumina is then reduced by electrolysis and the molten aluminum separates to the bottom of the cell. The reduction cell is periodically tapped to remove the molten aluminum. During the tapping process, some of the molten electrolyte (commonly referred as “bath” in the aluminum industry) is carried over with the molten aluminum and into the transfer crucible. The carryover of molten bath into the holding furnace can create significant operational problems in aluminum cast houses. Bath carryover can result in several problems. The most troublesome problem is sodium and calcium pickup in magnesium-bearing alloys. Magnesium alloying additions can result in Mg-Na and Mg-Ca exchange reactions with the molten bath, which results in the undesirable pickup of elemental sodium and calcium. This final report presents the findings of a project to evaluate removal of molten bath using a new and novel micro-porous filter media. The theory of selective adsorption or removal is based on interfacial surface energy differences of molten aluminum and bath on the micro-porous filter structure. This report describes the theory of the selective adsorption-filtration process, the development of suitable micro-porous filter media, and the operational results obtained with a micro-porous bed filtration system. The micro-porous filter media was found to very effectively remove molten sodium aluminum fluoride bath by the selective adsorption-filtration mechanism.

  18. Adsorption of molecular hydrogen on nanostructered surfaces

    International Nuclear Information System (INIS)

    Uranga Piña, Llinersy; Martínez Mesa, Aliezer; Seifert, Gotthard

    2015-01-01

    Were investigated the effect of the structural characteristics of model nanoporous environments on the adsorption of molecular hydrogen. The adsorption properties of the target nanostructures (graphene and ZnO sheets, carbon foams, metal-organic frameworks) are evaluated in a broad range of thermodynamic conditions. The study is carried out within the density functional theory for quantum fluids at finite temperature (QLDFT), which allows to account for the many-body and quantum delocalization effects in a single theoretical framework. The exchange-correlation (excess) functional is derived from the empirical equation of state of the homogeneous system. We focus on the evaluation of hydrogen storage capacities of the substrates and on the emergence of quantum effects triggered by the confinement imposed by the host structure. The approach provides accurate estimates of the hydrogen storage capacities for realistic adsorptive media. The relation between the microscopic structure of the hydrogen fluid and the calculated adsorption properties is also addressed. (full text)

  19. Quantitative infrared analysis of hydrogen fluoride

    International Nuclear Information System (INIS)

    Manuta, D.M.

    1997-04-01

    This work was performed at the Portsmouth Gaseous Diffusion Plant where hydrogen fluoride is produced upon the hydrolysis of UF 6 . This poses a problem for in this setting and a method for determining the mole percent concentration was desired. HF has been considered to be a non-ideal gas for many years. D. F. Smith utilized complex equations in his HF studies in the 1950s. We have evaluated HF behavior as a function of pressure from three different perspectives. (1) Absorbance at 3877 cm -1 as a function of pressure for 100% HF. (2) Absorbance at 3877 cm -1 as a function of increasing partial pressure HF. Total pressure = 300 mm HgA maintained with nitrogen. (3) Absorbance at 3877 cm -1 for constant partial pressure HF. Total pressure is increased to greater than 800 mm HgA with nitrogen. These experiments have shown that at partial pressures up to 35mm HgA, HIF follows the ideal gas law. The absorbance at 3877 cm -1 can be quantitatively analyzed via infrared methods

  20. Fluoride adsorption on goethite in relation to different types of surface sites

    NARCIS (Netherlands)

    Hiemstra, T.; Riemsdijk, van W.H.

    2000-01-01

    Metal (hydr)oxides have different types of surface groups. Fluoride ions have been used as a probe to assess the number of surface sites. We have studied the F− adsorption on goethite by measuring the F− and H interaction and F− adsorption isotherms. Fluoride ions exchange against singly coordinated

  1. Hydrogen adsorption in new carbon materials

    Energy Technology Data Exchange (ETDEWEB)

    Zubizarreta, L.; Arenillas, A.; Rubiera, F.; Pis, J.J. [Instituto Nacional del Carbon, CSIC, Apartado 73, 33080 Oviedo (Spain)

    2006-07-01

    Hydrogen physi-sorption on porous carbon materials is one among the different technologies which could be used for hydrogen storage. In addition hydrogen spillover on a carbon supports can enhance the hydrogen adsorption capacities obtained by physi-sorption. In this study two different carbon supports were synthesised: carbon gels and carbon microspheres. Carbon microspheres were doped with Ni(NO{sub 3}){sub 2} to study the hydrogen spillover on carbon support. The texture of the materials was characterised by CO{sub 2} adsorption at 0 C and their hydrogen storage capacity was evaluated at -196 and 10 C with a Micromeritics Tristar 3000, and at room temperature with a high pressure gravimetric analyser. (authors)

  2. Hydrogen adsorption in new carbon materials

    International Nuclear Information System (INIS)

    Zubizarreta, L.; Arenillas, A.; Rubiera, F.; Pis, J.J.

    2006-01-01

    Hydrogen physi-sorption on porous carbon materials is one among the different technologies which could be used for hydrogen storage. In addition hydrogen spillover on a carbon supports can enhance the hydrogen adsorption capacities obtained by physi-sorption. In this study two different carbon supports were synthesised: carbon gels and carbon microspheres. Carbon microspheres were doped with Ni(NO 3 ) 2 to study the hydrogen spillover on carbon support. The texture of the materials was characterised by CO 2 adsorption at 0 C and their hydrogen storage capacity was evaluated at -196 and 10 C with a Micromeritics Tristar 3000, and at room temperature with a high pressure gravimetric analyser. (authors)

  3. Surface Complexation Modeling of Fluoride Adsorption by Soil and the Role of Dissolved Aluminum on Adsorption

    Science.gov (United States)

    Padhi, S.; Tokunaga, T.

    2017-12-01

    Adsorption of fluoride (F) on soil can control the mobility of F and subsequent contamination of groundwater. Hence, accurate evaluation of adsorption equilibrium is a prerequisite for understanding transport and fate of F in the subsurface. While there have been studies for the adsorption behavior of F with respect to single mineral constituents based on surface complexation models (SCM), F adsorption to natural soil in the presence of complexing agents needs much investigation. We evaluated the adsorption processes of F on a natural granitic soil from Tsukuba, Japan, as a function of initial F concentration, ionic strength, and initial pH. A SCM was developed to model F adsorption behavior. Four possible surface complexation reactions were postulated with and without including dissolved aluminum (Al) and Al-F complex sorption. Decrease in F adsorption with the increase in initial pH was observed in between the initial pH range of 4 to 9, and a decrease in the rate of the reduction of adsorbed F with respect to the increase in the initial pH was observed in the initial pH range of 5 to 7. Ionic strength variation in the range of 0 to 100mM had insignificant effect on F removal. Changes in solution pH were observed by comparing the solution before and after F adsorption experiments. At acidic pH, the solution pH increased, whereas at alkaline pH, the solution pH decreased after equilibrium. The SCM including dissolved Al and the adsorption of Al-F complex can simulate the experimental results quite successfully. Also, including dissolved Al and the adsorption of Al-F complex to the model explained the change in solution pH after F adsorption.

  4. Hydrogen adsorption on and solubility in graphites

    International Nuclear Information System (INIS)

    Kanashenko, S.L.; Wampler, W.R.

    1996-01-01

    The experimental data on adsorption and solubility of hydrogen isotopes in graphite over a wide range of temperatures and pressures are reviewed. Langmuir adsorption isotherms are proposed for the hydrogen-graphite interaction. The entropy and enthalpy of adsorption are estimated, allowing for effects of relaxation of dangling sp 2 bonds. Three kinds of traps are proposed: edge carbon atoms of interstitial loops with an adsorption enthalpy relative to H 2 gas of -4.4 eV/H 2 (unrelaxed, Trap 1), edge carbon atoms at grain surfaces with an adsorption enthalpy of -2.3 eV/H 2 (relaxed, Trap 2), and basal plane adsorption sites with an enthalpy of +2.43 eV/H 2 (Trap 3). The adsorption capacity of different types of graphite depends on the concentration of traps which depends on the crystalline microstructure of the material. The number of potential sites for the 'true solubility' (Trap 3) is assumed to be about one site per carbon atom in all types of graphite, but the endothermic character of this solubility leads to a negligible H inventory compared to the concentration of hydrogen in type 1 and type 2 traps for temperatures and gas pressures used in the experiments. Irradiation with neutrons or carbon atoms increases the concentration of type 1 and type 2 traps from about 20 and 200 appm respectively for unirradiated (POCO AXF-5Q) graphite to about 1500 and 5000 appm, respectively, at damage levels above 1 dpa. (orig.)

  5. Hydrogen and helium adsorption on potassium

    International Nuclear Information System (INIS)

    Garcia, R.; Mulders, N.; Hess, G.

    1995-01-01

    A previous quartz microbalance study of adsorption of helium on sodium indicates that the inert layer is surprisingly small. Similar experiments with hydrogen on sodium show layer by layer growth below a temperature of 7K. These results motivated the authors to extend the experiments to lower temperatures. A suitable apparatus, capable of reaching 0.45 K, while still enabling them to do in situ alkali evaporation, has been constructed. The authors will report on the results of microbalance adsorption experiments of helium and hydrogen on potassium

  6. Hydrogen adsorption on partially oxidised microporous carbons

    International Nuclear Information System (INIS)

    J B Parra; C O Ania; C J Duran Valle; M L Sanchez; C Otero Arean

    2005-01-01

    The search for cost effective adsorbents for large scale gas separation, storage and transport constitutes a present day strategic issue in the energy sector, propelled mainly by the potential use of hydrogen as an energy vector in a sustainable (and cleaner) energy scenario. Both, activated carbons and carbon based nano-structured materials have been proposed as potential candidates for reversible hydrogen storage in cryogenically cooled vessels. For that purpose, surface modification so as to enhance the gas solid interaction energy is desirable. We report on hydrogen adsorption on microporous (active) carbons which have been partially oxidised with nitric acid and ammonium persulfate. From the corresponding hydrogen adsorption isotherms (Fig. 1) an isosteric heat of about 3 kJ mol -1 was derived. This value is in agreement with that of about 3 to 4 kJ mol -1 obtained by quantum chemical calculations on the interaction between the hydrogen molecule and simple model systems (Fig. 2) of both, hydroxyl and carboxyl groups. Further research is in progress with a view to further increases the gas solid interaction energy. However, the values so far obtained are significantly larger than the liquefaction enthalpy of hydrogen: 0.90 kJ mol -1 ; and this is relevant to both, hydrogen separation from gas mixtures and cryogenic hydrogen storage. (authors)

  7. Detailed kinetic and heat transport model for the hydrolysis of lignocellulose by anhydrous hydrogen fluoride vapor

    Energy Technology Data Exchange (ETDEWEB)

    Rorrer, G.L.; Mohring, W.R.; Lamport, D.T.A.; Hawley, M.C.

    1988-01-01

    Anhydrous Hydrogen Fluoride (HF) vapor at ambient conditions efficiently and rapidly hydrolyzed lignocellulose to glucose and lignin. The unsteady-state reaction of HF vapor with a single lignocellulose chip was mathematically modeled under conditions where external and internal mass-transfer resistances were minimized. The model incorporated physical adsorption of HF vapor onto the lignocellulosic matrix and solvolysis of cellulose to glucosyl fluoride by adsorbed HF into the differential material and energy balance expressions. Model predictions for the temperature distribution and global glucose yield in the HF-reacting lignocellulose chip as a function of reaction time and HF vapor stream temperature agreed reasonably with the complimentary experimental data. The model correctly predicted that even when mass-transfer resistances for the reaction of HF vapor with a single lignocellulose chip are minimized, external and internal heat-transfer resistances are still significant.

  8. Corrosion resistant materials for fluorine and hydrogen fluoride

    Energy Technology Data Exchange (ETDEWEB)

    Hauffe, K.

    1984-12-01

    Aluminum and Duralumin are resistant against fluorine and hydrogen fluoride up to 600 and 700 K, respectively. The resistance of nickel and its alloys, particularly monel, against fluorine and hydrogen fluoride is fairly good up to 900 and 800 K. During the attack of nickel-chromium alloys by fluorine between 1000 and 1300 K, it appears an inner fluorination similarly to the inner oxidation. The resistance of titanium in water-free liquid fluorine at lower temperatures with <0,3 mm.a/sup -1/ is comparable to that of nickel and monel. However, the corrosion of titanium in gaseous fluorine amounts at 377 K only 0,0082 mm.a/sup -1/. In spite of their limited resistance against fluorine and hydrogen fluoride, very pure molybdenum and tungsten are employed as construction materials in the rocket technology because of their large strength at high temperatures if fluorine-hydrogen and fluorine-hydrazine flames are used. Lanthanum and calcium borides are only little attacked by fluorine hydrazine flames between 1400 and 1800 K; they are superior to all special grade alloys. The same is true in a lower temperature region (290-400 K) with fluorcarbon resins. Organic materials substitute in increasing extent metal alloys and non-metal inorganic materials.

  9. Corrosion resistant materials for fluorine and hydrogen fluoride

    International Nuclear Information System (INIS)

    Hauffe, K.

    1984-01-01

    Aluminum and Duralumin are resistant against fluorine and hydrogen fluoride up to 600 and 700 K, respectively. The resistance of nickel and its alloys, particularly monel, against fluorine and hydrogen fluoride is fairly good up to 900 and 800 K. During the attack of nickel-chromium alloys by fluorine between 1000 and 1300 K, it appears an inner fluorination similarly to the inner oxidation. The resistance of titanium in water-free liquid fluorine at lower temperatures with -1 is comparable to that of nickel and monel. However, the corrosion of titanium in gaseous fluorine amounts at 377 K only 0,0082 mm.a -1 . In spite of their limited resistance against fluorine and hydrogen fluoride, very pure molybdenum and tungsten are employed as construction materials in the rocket technology because of their large strength at high temperatures if fluorine-hydrogen and fluorine-hydrazine flames are used. Lanthanum and calcium borides are only little attacked by fluorine hydrazine flames between 1400 and 1800 K; they are superior to all special grade alloys. The same is true in a lower temperature region (290-400 K) with fluorcarbon resins. Organic materials substitute in increasing extent metal alloys and non-metal inorganic materials. (orig.) [de

  10. Treatability study of arsenic, fluoride and nitrate from drinking water by adsorption process

    International Nuclear Information System (INIS)

    Abbas, N.; Irfan, M.; Butt, M.T.

    2014-01-01

    Natural contamination of nitrate, fluoride, arsenic and dissolved salts in ground water sources is the main health menace at present in different parts of Pakistan. The metalloids especially arsenic, fluoride and nitrate pose severe health hazards to human being. The present research work investigated the removal techniques for arsenic, fluoride and nitrate from drinking water by adsorption process. Ion exchange resins, activated carbon and activated alumina were used for removal of selected contaminants. These adsorbents were evaluated by comparing their removal efficiency as well as requisite operator skills. The result of activated alumina was found good as compared to activated carbon, mix bed resins and ion exchange resins (IRA-400) for maximum removal of arsenic, nitrate and fluoride. The removal efficiency of arsenic, fluoride and nitrate were found 96%, 99%, 98% respectively in case of activated alumina. The advantage of adsorption process is easy to use and relatively cheaper as compared to other treatment methodologies. (author)

  11. Adsorption of hydrogen in titanium

    International Nuclear Information System (INIS)

    Martinez R, T.

    1995-01-01

    In this work the absorption of hydrogen in titanium plates using a constant volume system has been realized. The changes of temperature and pressure were used to monitor the progress of the absorption. A stainless steel vacuum chamber with volume of 4,333 cm 3 was used. A titanium sample of 45 x 5.4 x 0.3 cm was located in the center of the chamber. The sample was heated by an electrical source connected to the system. The sample was preconditioned with a vacuum-thermal treatment at 10 -6 mbar and 800 Centigrade degrees for several days. Absorption was observed at room temperature and also at higher temperatures. The room temperature absorption was in the pressure range of 1.0 x 10 3 to 2.5 x 10 3 mbar, and other absorptions were from 180 to 630 Centigrade degrees at 3.5 x 10 -1 to 1.3 x 10 3 mbar. It was found that the gas absorbed was function of the vacuum-thermal pre-conditioned treatment, pressure and temperature. When the first absorption was developed, additional absorptions were realized in short time. We measured the electrical resistivity of the sample in the experiments but we could not see important changes due to the absorption. (Author)

  12. Hydrogen adsorption in carbon nanostructures compared

    International Nuclear Information System (INIS)

    Schimmel, H.G.; Nijkamp, G.; Kearley, G.J.; Rivera, A.; Jong, K.P. de; Mulder, F.M.

    2004-01-01

    Recent reports continue to suggest high hydrogen storage capacities for some carbon nanostructures due to a stronger interaction between hydrogen and carbon. Here the interaction of hydrogen with activated charcoal, carbon nanofibers, single walled carbon nanotubes (SWNT), and electron beam 'opened' SWNT are compared and shown to be similar. The storage capacity below 77 K of these materials correlates with the surface area of the material with the activated charcoal having the largest. SWNT and 'opened' SWNT have a relatively low accessible surface area due to bundling of the tubes. Pressure-temperature curves give the interaction potential, which was found to be ∼580 K or 50 meV in all samples, leading to significant adsorption below ∼50 K. Using the inelastic neutron scattering signal associated with rotation of the hydrogen molecule as a sensitive probe for the surroundings of the molecule, no difference was found between the hydrogen molecules adsorbed in the investigated materials. These combined spectroscopic and macroscopic results show that SWNT, nanofibers and activated carbons store molecular hydrogen due to their graphitic nature and not because they possess special morphologies. Results from a density functional theory computer calculation suggest molecular hydrogen bonding to an aromatic C-C bond of graphite, irrespective of the surface morphology farther away

  13. Removal of hydrogen fluoride from uranium plant emissions

    International Nuclear Information System (INIS)

    Ramani, M.P.S.

    1997-01-01

    Uranium production technology involves the use of hydrogen fluoride at various stages. It is used in the production of uranium tetrafluoride as well as for the production of fluorine for the conversion of tetrafluoride to hexafluoride in isotopic enrichment plants. The sources of HF pollution in the industry, besides accidental spillages and leakages, are the final off-gases from the UF 4 production process or from the hydrogen reduction of hexafluoride (where such process is adopted), venting of tanks and reactors containing HF, safety pressure rupture discs as well as dust collection and ventilation systems

  14. Hydrogen adsorption in doped porous carbons

    International Nuclear Information System (INIS)

    L Balan; L Duclaux; S Los

    2005-01-01

    Full text of publication follows: Hydrogen is a clean fuel that will be used in automotive transport when the problem of storage will be solved. The difficulties of H 2 storage (available space, security and performance, etc...) require a material that can store 5 weight % of hydrogen. Research is focused on new materials that can assume the constraints imposed by the automotive applications. Among these materials, the nano-structured carbons (nano-fibers and single walled carbon nano-tubes) were claimed to be promising by numerous authors [1-3]. The more promising carbon materials for hydrogen adsorption are those having micropores (i. e. single walled carbon nano-tubes and activated carbon), for which the energy of sorption of hydrogen molecules is theoretically higher [7-8]. Presently, the best performance of hydrogen adsorption was found in super-activated microporous carbons sorbing 5 weight % at 77 K, and almost 0.5 % at room temperature and 6 MPa [9]. Up to now, the performance of these materials can still be improved as the known mechanism of sorption in these carbon materials: physi-sorption controlled by Van der Waals attractive forces through London interaction is efficient at cryogenic temperatures (77 K) where the interaction between adsorbent and adsorbate becomes stronger. One way to improve the attractive interaction between adsorbent and molecule is to increase the forces due to the interaction of electrical field and induced dipole of the molecule. This can be theoretically tailored in carbon materials through the electron charge transfer by electron donors who can provide an increase in the electrical field at the surface of the adsorbent. Then, the doping of carbon substrates, appearing to be a promising method to increase the energy of adsorption has been proposed in recent papers as a solution to obtain good hydrogen adsorption properties at appropriate temperatures close to room temperatures [10-12]. Thus, we have studied the adsorption

  15. Hydrogen adsorption in doped porous carbons

    International Nuclear Information System (INIS)

    Balan, L.; Duchaux, L.; Los, S.

    2005-01-01

    Full text of publication follows: Hydrogen is a clean fuel that will be used in automotive transport when the problem of storage will be solved. The difficulties of H 2 storage (available space, security and performance, etc...) require a material that can store 5 weight % of hydrogen. Research is focused on new materials that can assume the constraints imposed by the automotive applications. Among these materials, the nano-structured carbons (nano-fibers and single walled carbon nano-tubes) were claimed to be promising by numerous authors [1-3]. The more promising carbon materials for hydrogen adsorption are those having micropores (i. e. single walled carbon nano-tubes and activated carbon), for which the energy of sorption of hydrogen molecules is theoretically higher [7- 8]. Presently, the best performance of hydrogen adsorption was found in super-activated micro-porous carbons sorbing 5 weight % at 77 K, and almost 0.5 % at room temperature and 6 MPa [9]. Up to now, the performance of these materials can still be improved as the known mechanism of sorption in these carbon materials: physisorption controlled by Van der Waals attractive forces through London interaction is efficient at cryogenic temperatures (77 K) where the interaction between adsorbent and adsorbate becomes stronger. One way to improve the attractive interaction between adsorbent and molecule is to increase the forces due to the interaction of electrical field and induced dipole of the molecule. This can be theoretically tailored in carbon materials through the electron charge transfer by electron donors who can provide an increase in the electrical field al the surface of the adsorbent. Then, the doping of carbon substrates, appearing to be a promising method to increase the energy of adsorption has been proposed in recent papers as a solution to obtain good hydrogen adsorption properties at appropriate temperatures close to room temperatures [10-12]. Thus, we have studied the adsorption

  16. The removal of fluoride from aqueous solution by a lateritic soil adsorption: Kinetic and equilibrium studies.

    Science.gov (United States)

    Iriel, Analia; Bruneel, Stijn P; Schenone, Nahuel; Cirelli, Alicia Fernández

    2018-03-01

    The use of natural sorbents to remove fluoride from drinking water is a promising alternative because of its low-cost and easy implementation. In this article, fluoride adsorption on a latosol soil from Misiones province (Argentina) was studied regarding kinetic and equilibrium aspects. Experiments were conducted in batch at room temperature under controlled conditions of pH 4-8) and ionic strength (1-10mM KNO 3 ). Experimental data indicated that adsorption processes followed a PSO kinetic where initial rates have showed to be influenced by pH solution. The necessary time to reach an equilibrium state had resulted approximately 30min. Equilibrium adsorption studies were performed at pH 8 which is similar to the natural groundwater. For that, fluoride adsorption data were successfully adjusted to Dubinin-Ataskhov model determining that the fluoride adsorption onto soil particles mainly followed a physical mechanism with a removal capacity of 0.48mgg -1 . Finally, a natural groundwater was tested with laterite obtaining a reduction close to 30% from initial concentration and without changing significantly the physicochemical properties of the natural water. Therefore, it was concluded that the use of lateritic soils for fluoride removal is very promising on a domestic scale. Copyright © 2017 Elsevier Inc. All rights reserved.

  17. Hydrogen adsorption in metal-organic frameworks

    Energy Technology Data Exchange (ETDEWEB)

    Senkovska, Irena; Kaskel, Stefan [Department of Inorganic Chemistry, Technical University, Dresden (Germany)

    2008-07-01

    Metal-Organic Frameworks (MOFs) have recently received considerable attention because of their high specific micropore volume and the ability to store gas molecules exceeding the storage capacity of traditional adsorbents. A variety of differences in the MOFs structures makes it difficult to analyze the influence of different factors on hydrogen uptake capabilities in MOFs. We have investigated the influence of the minor structural changes of the MOFs on their hydrogen storage capacity. The influence of the incorporated metal was shown for following isostructural compounds: Cu{sub 3}(BTC){sub 2} (BTC=1,3,5-benzenetricarboxylate) and Mo{sub 3}(BTC){sub 2}; Zn{sub 2}(BDC){sub 2}DABCO and Co{sub 2}(BDC){sub 2}DABCO (BDC=1,4-benzenedicarboxylate, DABCO=1,4-diazabicyclo[2.2.2]octane). Our research interest is directed also towards the discovery of new MOFs, as well as adjusting the pore dimensions of MOFs, using different building blocks, solvent and solvent mixtures, in order to improve gas uptake and adsorption properties. Magnesium-based MOFs were found with the same network topology, very small pore size and selective adsorption behaviour. They show a guest-induced reversible structure transformation due to the flexibility of the Mg{sub 3}-cluster and the organic linkers. This effect could be used for fitting the pore sizes and for the increase of gas sorption capability in Mg contained MOFs after all. The hydrogen adsorption was also studied in several Al-based IRMOFs.

  18. Theory of nuclear quadrupole interactions in solid hydrogen fluoride

    International Nuclear Information System (INIS)

    Mohamed, N.S.; Sahoo, N.; Das, T.P.; Kelires, P.C.

    1990-01-01

    The nuclear quadrupole interaction of 19 F * (I=5/2) nucleus in solid hydrogen fluoride has been studied using the Hartree Fock cluster technique to understand the influence of both intrachain hydrogen bonding effects and the weak interchain interaction. On the basis of our investigations, the 34.04 MHz coupling constant observed by TDPAD measurements has been ascribed to the bulk solid while the observed 40.13 MHz coupling constant is suggested as arising from a small two- or three-molecule cluster produced during the proton irradiation process. Two alternate explanations are offered for the origin of coupling constants close to 40 MHz in a number of solid hydrocarbons containing hydrogen and fluorine ligands. (orig.)

  19. Hydrogen permeation through Flinabe fluoride molten salts for blanket candidates

    Energy Technology Data Exchange (ETDEWEB)

    Nishiumi, Ryosuke, E-mail: r.nishiumi@aees.kyushu-u.ac.jp; Fukada, Satoshi; Nakamura, Akira; Katayama, Kazunari

    2016-11-01

    Highlights: • H{sub 2} diffusivity, solubility and permeability in Flinabe as T breeder are determined. • Effects in composition differences among Flibe, Fnabe and Flinabe are compared. • Changes of pressure dependence of Flinabe permeation rate are clarified. - Abstract: Fluoride molten salt Flibe (2LiF + BeF{sub 2}) is a promising candidate for the liquid blanket of a nuclear fusion reactor, because of its large advantages of tritium breeding ratio and heat-transfer fluid. Since its melting point is higher than other liquid candidates, another new fluoride molten salt Flinabe (LiF + NaF + BeF{sub 2}) is recently focused on because of its lower melting point while holding proper breeding properties. In this experiment, hydrogen permeation behavior through the three molten salts of Flibe (2LiF + BeF{sub 2}), Fnabe (NaF + BeF{sub 2}) and Flinabe are investigated in order to clarify the effects of their compositions on hydrogen transfer properties. After making up any of the three molten salts and purifying it using HF, hydrogen permeability, diffusivity and solubility of the molten salts are determined experimentally by using a system composed of tertiary cylindrical tubes. Close agreement is obtained between experimental data and analytical solutions. H{sub 2} permeability, diffusivity and solubility are correlated as a function of temperature and are compared among the three molten salts.

  20. Adsorption methods for hydrogen isotope storage on zeolite sieves

    International Nuclear Information System (INIS)

    Cristescu, Ioana; Cristescu, Ion; Vasut, Felicia; Brad, Sebastian; Lazar, Alin

    2001-01-01

    Adsorption molecular sieves and activated carbon were used for hydrogen isotopes. The adsorption process proceeds at liquid nitrogen and liquid hydrogen temperatures. The synthetic zeolites have similar properties as natural zeolites, but they have a regular pore structure and affinity for molecules of different size with defined shapes. Experimental results obtained at liquid nitrogen and liquid hydrogen temperatures evidenced the efficient behavior of the activated carbon and zeolite sieves for hydrogen isotope temporary storage. (authors)

  1. Spectrographic determination of impurities in ammonium hydrogen fluoride samples

    International Nuclear Information System (INIS)

    Roca, M.; Capdevila, C.; Alduan, F.A.

    1976-01-01

    The quantitative spectrographic trace determination of Al, B, Cr, Cu, Fe, Mn, Mo, Ni, Pb and Si in ammonium hydrogen fluoride samples is considered. 10 A dc arc excitation and graphite electrodes with crate either 4.5 mm or 8 mm deep are employed. A comparison of various matrices such as graphite, gallium oxide, germanium oxide, magnesium oxide and zinc oxide, in the ratios 1:1 and 1:3, as well as a mixture 50% graphite - 50% zinc oxide in the ratio 1:1 is included. Zinc oxide in the ratio 1:1 and 4x8 mm craters show the best over-all results. (author)

  2. Toxicity levels to humans during acute exposure to hydrogen fluoride

    International Nuclear Information System (INIS)

    Halton, D.M.; Dranitsaris, P.; Baynes, C.J.

    1984-11-01

    A literature review was conducted of the acute toxicity of hydrogen fluoride (HF) with emphasis on the effects of inhalation of gaseous HF. The data and findings of the relevant references were summarized under four categories: animal studies, controlled human studies, community exposure and industrial exposure. These were critically reviewed and then lethal concentration-time relationships were developed for humans, corresponding to LCsub(LO), LCsub(10) and LCsub(50) levels. The effects of age, health and other physiological variables on the sensitivity to HF were discussed, as well as antagonistic and synergistic effects with other substances

  3. Removal of fluoride from aqueous solution by adsorption on hydroxyapatite (HAp using response surface methodology

    Directory of Open Access Journals (Sweden)

    M. Mourabet

    2015-11-01

    Full Text Available A study on the adsorption of fluoride onto hydroxyapatite was conducted and the process parameters were optimized using Response Surface Methodology (RSM. Hydroxyapatite has been characterized by using different physicochemical methods. In order to determine the effects of process parameters namely temperature (20–40 °C, initial solution pH (4–11, adsorbent dose (0.1–0.3 g and initial fluoride concentration (10–20 mg L−1 on fluoride uptake from aqueous solution, a three-level, four-factor, Box–Behnken design has been employed. The second order mathematical model was developed by regression analysis of the experimental data obtained from 29 batch runs. The optimum pH, temperature, adsorbent dose and initial concentration were found by desirability function to be 4.16, 39.02 °C, 0.28 g and 20 mg L−1, respectively. Fluoride removal was 86.34% at the optimum combination of process parameters. Dynamic adsorption data were applied to pseudo-first-order and pseudo-second-order rate equations. The time data fitted well to pseudo second order kinetic model. According to the correlation coefficients, the adsorption of fluoride on the hydroxyapatite was correlated well with the Langmuir and Freundlich models.

  4. Method to separate off hydrogen fluoride from a uranium hexafluoride-hydrogen fluoride mixture

    International Nuclear Information System (INIS)

    Pfistermeister, M.; Jokar, J.

    1979-01-01

    There have been sofar difficulties involved in separating off HF when purifying UF 6 . According to the invention, this can be achieved without great expenditure if one adds a perfluorated amine or derivative of it to the UF 6 -HF mixture. The UF 6 can be separated by simple distillation or sublimation from the hardly-volatile formed tri-(perfluoro-butyl) ammonium fluoride. The adduct formed can be easily split again with NaOH so that the amine can be recycled without loss. (UWI) [de

  5. Method to separate hydrogen fluoride from an uranium hexafluoride-hydrogen fluoride mixture

    International Nuclear Information System (INIS)

    Pfistermeister, M.; Jokar, J.

    1978-01-01

    It is difficult to separate off HF in the purification of UF 6 from additional compounds. According to the invention, it is possible without too greater effort to form the hardly volatile tri-(perfluorobutyl)-ammonium fluoride by adding a perfluorate amine or a derivate of it, and then to separate off the UF 6 from the adduct by simple distillation or sublimation. The adduct can be easily split again with NaOH, so that the amine can be used again without loss. (RW) [de

  6. Hydrogen adsorption in metal-decorated silicon carbide nanotubes

    Science.gov (United States)

    Singh, Ram Sevak; Solanki, Ankit

    2016-09-01

    Hydrogen storage for fuel cell is an active area of research and appropriate materials with excellent hydrogen adsorption properties are highly demanded. Nanotubes, having high surface to volume ratio, are promising storage materials for hydrogen. Recently, silicon carbide nanotubes have been predicted as potential materials for future hydrogen storage application, and studies in this area are ongoing. Here, we report a systematic study on hydrogen adsorption properties in metal (Pt, Ni and Al) decorated silicon carbide nanotubes (SiCNTs) using first principles calculations based on density functional theory. The hydrogen adsorption properties are investigated by calculations of adsorption energy, electronic band structure, density of states (DOS) and Mulliken charge population analysis. Our findings show that hydrogen adsorptions on Pt, Ni and Al-decorated SiCNTs undergo spontaneous exothermic reactions with significant modulation of electronic structure of SiCNTs in all cases. Importantly, according to the Mulliken charge population analysis, dipole-dipole interaction causes chemisorptions of hydrogen in Pt, Ni and Al decorated SiCNTs with formation of chemical bonds. The study is a platform for the development of metal decorated SiCNTs for hydrogen adsorption or hydrogen storage application.

  7. Enhanced fluoride adsorption using Al (III) modified calcium hydroxyapatite

    International Nuclear Information System (INIS)

    Nie, Yulun; Hu, Chun; Kong, Chuipeng

    2012-01-01

    Highlights: ► Al modified hydroxyapatite possessed a higher defluoridation capacity of 32.57 mg/g. ► Hydroxyl groups on the surface of Al-HAP was the adsorption sites for F − removal. ► Enhanced F − removal over Al-HAP was attributed to the modification with aluminum. - Abstract: Aluminum-modified hydroxyapatite (Al-HAP) was prepared and characterized using XRD and BET analyses. Al-HAP possessed higher defluoridation capacity (DC) of 32.57 mgF − /g than unmodified hydroxyapatite (HAP) which showed a DC of 16.38 mgF − /g. The effect of Al/Ca atomic ratio in Al-HAP, solution pH and co-existing anions was further studied. The results indicated that the adsorption data could be well described by the Langmuir isotherm model and the adsorption kinetic followed the pseudo-second-order model. The pH changes during the adsorption process suggested that the -OH on the surface of Al-HAP was the adsorption sites. The more adsorption sites were formed on Al modified HAP, which possessed abundant surface hydroxyl groups, resulting in higher efficiency of F − removal. Thermodynamic parameters such as ΔG°, ΔH° and ΔS° were calculated in order to understand the nature of adsorption process. The results revealed that the adsorption reaction was a spontaneous and endothermic process.

  8. Synthesis of pillar and microsphere-like magnesium oxide particles and their fluoride adsorption performance in aqueous solutions

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Sang Gool; Ha, Jong-Wook; Sohn, Eun-Ho; Park, In Jun; Lee, Soo-Bok [Korea Research Institute of Chemical Technology, Daejeon (Korea, Republic of)

    2017-10-15

    We synthesized pillar and microsphere-like MgO particles and their fluoride removal performance. Samples of MgO were synthesized by calcination of precursors derived from MgCO{sub 3}·3H{sub 2}O and characterized using field emission scanning electron microscopy, X-ray diffraction, and N{sub 2} adsorption-desorption isotherms. The fluoride removal performance of the MgO samples was investigated in terms of adsorption kinetics and adsorption equilibrium. The effects of pH and the presence of other anions on the fluoride adsorption were also considered. The adsorption capacities of pillar and microsphere-like MgO particles were 151.51 and 166.66mg/g, respectively. The pH of the aqueous solutions did not significantly affect the fluoride adsorption at pH 9 or lower. Except for phosphate, the effect of co-existing anions on fluoride adsorption was not considerable. Fluoride removal occurred through the substitution of hydroxyl groups on the surface of MgO with fluorides.

  9. Adsorption of fluoride ions onto naturally occurring earth materials ...

    African Journals Online (AJOL)

    Batch sorption system using two naturally occurring earth materials (EM) as adsorbents was investigated to remove fluoride ions from aqueous solution. The system variables studied include initial concentration of the sorbate, agitation time, adsorbent dose, pH, co-ions and temperature. The experimental data fitted well to ...

  10. Microscopic dynamics and relaxation processes in liquid hydrogen fluoride

    International Nuclear Information System (INIS)

    Angelini, R.; Giura, P.; Monaco, G.; Sette, F.; Fioretto, D.; Ruocco, G.

    2004-01-01

    Inelastic x-ray scattering and Brillouin light scattering measurements of the dynamic structure factor of liquid hydrogen fluoride have been performed in the temperature range T=214-283 K. The data, analyzed using a viscoelastic model with a two time-scale memory function, show a positive dispersion of the sound velocity c(Q) between the low frequency value c 0 (Q) and the high frequency value c ∞α (Q). This finding confirms the existence of a structural (α) relaxation directly related to the dynamical organization of the hydrogen bonds network of the system. The activation energy E a of the process has been extracted by the analysis of the temperature behavior of the relaxation time τ α (T) that follows an Arrhenius law. The obtained value for E a , when compared with that observed in another hydrogen bond liquid as water, suggests that the main parameter governing the α-relaxation process is the number of hydrogen bonds per molecule

  11. Hydrogen adsorption on bimetallic PdAu(111) surface alloys

    DEFF Research Database (Denmark)

    Takehiro, Naoki; Liu, Ping; Bergbreiter, Andreas

    2014-01-01

    The adsorption of hydrogen on structurally well defined PdAu-Pd(111) monolayer surface alloys was investigated in a combined experimental and theoretical study, aiming at a quantitative understanding of the adsorption and desorption properties of individual PdAu nanostructures. Combining...... the structural information obtained by high resolution scanning tunneling microscopy (STM), in particular on the abundance of specific adsorption ensembles at different Pd surface concentrations, with information on the adsorption properties derived from temperature programmed desorption (TPD) spectroscopy...... and high resolution electron energy loss spectroscopy (HREELS) provides conclusions on the minimum ensemble size for dissociative adsorption of hydrogen and on the adsorption energies on different sites active for adsorption. Density functional theory (DFT) based calculations give detailed insight...

  12. Effect of strong acids on red mud structural and fluoride adsorption properties.

    Science.gov (United States)

    Liang, Wentao; Couperthwaite, Sara J; Kaur, Gurkiran; Yan, Cheng; Johnstone, Dean W; Millar, Graeme J

    2014-06-01

    The removal of fluoride using red mud has been improved by acidifying red mud with hydrochloric, nitric and sulphuric acid. The acidification of red mud causes sodalite and cancrinite phases to dissociate, confirmed by the release of sodium and aluminium into solution as well as the disappearance of sodalite bands and peaks in infrared and X-ray diffraction data. The dissolution of these mineral phases increases the amount of available iron and aluminium oxide/hydroxide sites that are accessible for the adsorption of fluoride. However, concentrated acids have a negative effect on adsorption due to the dissolution of these iron and aluminium oxide/hydroxide sites. The removal of fluoride is dependent on the charge of iron and aluminium oxide/hydroxides on the surface of red mud. Acidifying red mud with hydrochloric, nitric and sulphuric acid resulted in surface sites of the form ≡SOH2(+) and ≡SOH. Optimum removal is obtained when the majority of surface sites are in the form ≡SOH2(+) as the substitution of a fluoride ion does not cause a significant increase in pH. This investigation shows the importance of having a low and consistent pH for the removal of fluoride from aqueous solutions using red mud. Copyright © 2014 Elsevier Inc. All rights reserved.

  13. Fluoride adsorption onto an acid treated lateritic mineral from Kenya ...

    African Journals Online (AJOL)

    Wambu

    adsorption on commercial activated carbons and alumina. (Chaturvedi et al., 1990), ion-exchange ... chemical composition showed that the adsorbent had a ..... fixed bed packed with granular calcite Water Res., 33: 3395–3402. Onyango MS ...

  14. Hydrogen desorption from hydrogen fluoride and remote hydrogen plasma cleaned silicon carbide (0001) surfaces

    Energy Technology Data Exchange (ETDEWEB)

    King, Sean W., E-mail: sean.king@intel.com; Tanaka, Satoru; Davis, Robert F. [Department of Materials Science and Engineering, North Carolina State University, Raleigh, North Carolina 27695 (United States); Nemanich, Robert J. [Department of Physics, North Carolina State University, Raleigh, North Carolina 27695 (United States)

    2015-09-15

    Due to the extreme chemical inertness of silicon carbide (SiC), in-situ thermal desorption is commonly utilized as a means to remove surface contamination prior to initiating critical semiconductor processing steps such as epitaxy, gate dielectric formation, and contact metallization. In-situ thermal desorption and silicon sublimation has also recently become a popular method for epitaxial growth of mono and few layer graphene. Accordingly, numerous thermal desorption experiments of various processed silicon carbide surfaces have been performed, but have ignored the presence of hydrogen, which is ubiquitous throughout semiconductor processing. In this regard, the authors have performed a combined temperature programmed desorption (TPD) and x-ray photoelectron spectroscopy (XPS) investigation of the desorption of molecular hydrogen (H{sub 2}) and various other oxygen, carbon, and fluorine related species from ex-situ aqueous hydrogen fluoride (HF) and in-situ remote hydrogen plasma cleaned 6H-SiC (0001) surfaces. Using XPS, the authors observed that temperatures on the order of 700–1000 °C are needed to fully desorb C-H, C-O and Si-O species from these surfaces. However, using TPD, the authors observed H{sub 2} desorption at both lower temperatures (200–550 °C) as well as higher temperatures (>700 °C). The low temperature H{sub 2} desorption was deconvoluted into multiple desorption states that, based on similarities to H{sub 2} desorption from Si (111), were attributed to silicon mono, di, and trihydride surface species as well as hydrogen trapped by subsurface defects, steps, or dopants. The higher temperature H{sub 2} desorption was similarly attributed to H{sub 2} evolved from surface O-H groups at ∼750 °C as well as the liberation of H{sub 2} during Si-O desorption at temperatures >800 °C. These results indicate that while ex-situ aqueous HF processed 6H-SiC (0001) surfaces annealed at <700 °C remain terminated by some surface C–O and

  15. Chromosomal changes in maize induced by hydrogen fluoride gas

    Energy Technology Data Exchange (ETDEWEB)

    Mohamed, A H

    1970-01-01

    Maize seedlings were fumigated in growth chambers with hydrogen fluoride at a concentration of about 3 ..mu..g/m/sup 3/. The experiment was run for 10 days, with the first group of treated plants removed from the chambers after 4 days and then at intervals of 2 days. Microsporocyte smears from the treated plants revealed chromosomal aberrations that included asynaptic regions, translocations, inversions, and bridges plus fragments or fragments by themselves. It is believed that these abnormalities were due to the physiological effect of HF causing the chromosomes to become sticky and/or to the occurrence of chromatid breakage followed by reunion to sticky and/or to the occurrence of chromatid breakage followed by reunion to form structural changes. These findings indicate that HF is a mutagenic agent.

  16. Infrared analysis of hydrogen fluoride in uranium hexafluoride

    International Nuclear Information System (INIS)

    Ohwada, Ken; Soga, Takeshi; Iwasaki, Matae; Tsujimura, Shigeo

    1975-01-01

    Quantitative analysis by infrared technique was made on hydrogen fluoride (HF) contained in uranium hexafluoride (UF 6 ). It was found that, among the vibration-rotation bands, the R(1)-, R(2)-, P(2)- and P(3)-branches having relatively large absorbances are convenient for the analysis of HF. Upon comparing the calibration curves of pure HF with the HF absorbances observed in the presence of UF 6 (approx. 70--100 Torr), N 2 (approx. 100 Torr) and Ar(approx. 100 Torr) gases, it was observed that the first-mentioned calibration curve could be applied to the analysis of HF when mixed with other substances, as in the latter cases. The detectable limits of HF pressure, using a infrared cell of 10cm path length, were 0.5--1 Torr at room temperature. (auth.)

  17. Effects of atmospheric hydrogen fluoride upon Drosophila melanogaster. I. Differential genotyptic response

    Energy Technology Data Exchange (ETDEWEB)

    Gerdes, R A; Smith, J D; Applegate, H G

    1971-01-01

    Four inbred lines of Drosophila melanogaster were exposed to various concentrations of gaseous hydrogen fluoride for a period of six weeks. The effects upon the viability of these populations were predominantly linear with respect to fluoride concentration over the range tested. Differential responses of the inbred lines were interpreted to mean that tolerance to fluoride contamination is influenced by genotype. 4 references, 1 figure, 1 table.

  18. Fluoride adsorption onto an acid treated lateritic mineral from Kenya ...

    African Journals Online (AJOL)

    1) from Kenya was studied by batch experiments. The effect of acid-treatment of adsorbent and change in temperature, mass of LM-1, pH and selected competing ions was evaluated. The adsorption process was strongly influenced by ...

  19. Adsorption and diffusion of hydrogen in Zircaloy-4

    International Nuclear Information System (INIS)

    Torres, E.; Desquines, J.; Baietto, M.C.; Coret, M.; Wehling, F.; Blat-Yrieix, M.; Ambard, A.

    2015-01-01

    Hydrogen in zirconium alloys is considered in many nuclear safety issues. Below 500 Celsius degrees, rather limited knowledge is available on the combined hydrogen adsorption at the sample surface and diffusion in the metal. A modeling of hydrogen gaseous charging has been established starting with a set of relevant laws and parameters derived from open literature. Simulating the hydrogen charging process requires simultaneous analysis of gaseous surface adsorption, hydrogen solid-solution diffusion and precipitation, when exceeding the material solubility limit. The modeling has been extended to reproduce the solid-gas exchange. Gaseous charging experiments have been performed at 420 C. degrees on Stress Relieved Annealed (SRA) Zircaloy-4 cladding samples to validate the model. The sample hydrogen content has been systematically measured after charging and compared to the calculated value thus providing a validation of the adsorption modeling. Complementary tests have been carried out on Recrystallized Annealed (RXA) Zircaloy-4 rods to characterize the combined diffusion and adsorption process. The hydrogen concentration distribution has been characterized using an inverse technique based on destructive analyses of the samples. This additional set of data was relevant for the validation of the hydrogen combined adsorption/diffusion modeling up to 420 C. degrees. (authors)

  20. Adsorption of hydrogen and deuterium on modified molecular sieves

    International Nuclear Information System (INIS)

    Li Jing; Shi Jinsong; Wu Erdong; Li Xiongwei; Peng Lixia

    2013-01-01

    The adsorption characteristics of hydrogen isotopes on 5A, ZSM-5 and their modified molecular sieves were studied at liquid nitrogen temperature with volumetric method. The effects of modification methods such as transition metal salt loading and ball milling on the adsorption behavior were discussed. It is observed that the adsorption amounts on the modified molecular sieves are reduced. but some modifications contribute to the separation between H 2 and D 2 . (authors)

  1. A density functional study on the adsorption of hydrogen molecule

    Indian Academy of Sciences (India)

    An all-electron scalar relativistic calculation on the adsorption of hydrogen molecule onto small copper clusters has been performed by using density functional theory with the generalized gradient approximation (GGA) at PW91 level. Our results reveal that after adsorption of H2 molecule, the Cu-Cu interaction is ...

  2. Adsorption methods for hydrogen isotope storage on zeolitic sieves

    International Nuclear Information System (INIS)

    Cristescu, Ioana; Cristescu, Ion; Vasut, F.; Brad, S.; Lazar, A.

    2001-01-01

    For hydrogen isotope separation, adsorption molecular sieves and active carbon were used. Adsorption process proceeds at liquid nitrogen and liquid hydrogen temperatures. Commercial zeolites have the same proprieties with natural zeolites, but they have a regular pore structure. They also have affinity for molecules of different size with defined shapes. Experimental results obtained at liquid nitrogen temperature (77.4 K) and liquid hydrogen revealed the efficient behaviour of the active carbon and zeolitic sieves for hydrogen isotopes temporary storage. We study adsorption of the synthetic zeolites in a wide range of temperatures and pressures and we used the molecular sieves 4A, 5A and active carbon. The 4A and 5A zeolites have a tridimensional structure with 11.4 A diameter. When the hydration water is eliminated, the material keeps a porous structure. The porous volume represents 45% from the zeolite mass for 4A and 5A sieves. The activation temperature of the zeolite and the carbon is very important for obtaining a high adsorption capacity. If the temperature used for activation is low, the structural water will be not eliminated and the adsorption capacity will be low. The excessive temperature will destroy the porous structure. The adsorption capacity for the hydrogen isotopes was calculated with the relation: A = V ads /m (cm 3 /g). The adsorption capacity and efficiency for the adsorbent materials, are given. Physical adsorption process of the hydrogen isotopes was carried out at liquid nitrogen temperature. The flux gas used in the adsorption system is composed of dry deuterium and protium. This mixture is cooled in liquid nitrogen and then is passed to the adsorbent getter at the same temperature (77.4 K). The gas flux in the adsorbent getter is 5 and 72 l/h (which correspond to 0.008 and 0.134 discharge velocity, respectively). (authors)

  3. Hydrogen adsorption on N-decorated single wall carbon nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Rangel, Eduardo [Instituto de Fisica, Universidad Nacional Autonoma de Mexico, Apartado Postal 20-364, Codigo Postal 01000, Mexico D.F. (Mexico); Ruiz-Chavarria, Gregorio [Instituto de Fisica, Universidad Nacional Autonoma de Mexico, Apartado Postal 20-364, Codigo Postal 01000, Mexico D.F. (Mexico); Departamento de Fisica, Facultad de Ciencias, Universidad Nacional Autonoma de Mexico Ciudad Universitaria, Codigo Postal 04510, Mexico D.F. (Mexico); Magana, L.F., E-mail: fernando@fisica.unam.m [Instituto de Fisica, Universidad Nacional Autonoma de Mexico, Apartado Postal 20-364, Codigo Postal 01000, Mexico D.F. (Mexico); Arellano, J.S. [Departamento de Ciencias Basicas, Universidad Autonoma Metropolitana, Unidad Azcapotzalco. Avenida San Pablo No. 180, Col. Reynosa Tamaulipas Codigo Postal 02200, Mexico D.F. (Mexico)

    2009-07-06

    Using density functional theory and molecular dynamics we found that N-decorated single walled (8,0) carbon nanotubes are potential high capacity hydrogen storage media. This system could store up to 6.0 wt% hydrogen at 300 K and ambient pressure, with average adsorption energy of -80 meV/(H{sub 2}). Nitrogen coverage was C{sub 8}N.

  4. Hydrogen adsorption on N-decorated single wall carbon nanotubes

    International Nuclear Information System (INIS)

    Rangel, Eduardo; Ruiz-Chavarria, Gregorio; Magana, L.F.; Arellano, J.S.

    2009-01-01

    Using density functional theory and molecular dynamics we found that N-decorated single walled (8,0) carbon nanotubes are potential high capacity hydrogen storage media. This system could store up to 6.0 wt% hydrogen at 300 K and ambient pressure, with average adsorption energy of -80 meV/(H 2 ). Nitrogen coverage was C 8 N.

  5. Use of response surface methodology for optimization of fluoride adsorption in an aqueous solution by Brushite

    Directory of Open Access Journals (Sweden)

    M. Mourabet

    2017-05-01

    Full Text Available In the present study, Response surface methodology (RSM was employed for the removal of fluoride on Brushite and the process parameters were optimized. Four important process parameters including initial fluoride concentration (40–50 mg/L, pH (4–11, temperature (10–40 °C and B dose (0.05–0.15 g were optimized to obtain the best response of fluoride removal using the statistical Box–Behnken design. The experimental data obtained were analyzed by analysis of variance (ANOVA and fitted to a second-order polynomial equation using multiple regression analysis. Numerical optimization applying desirability function was used to identify the optimum conditions for maximum removal of fluoride. The optimum conditions were found to be initial concentration = 49.06 mg/L, initial solution pH = 5.36, adsorbent dose = 0.15 g and temperature = 31.96 °C. A confirmatory experiment was performed to evaluate the accuracy of the optimization procedure and maximum fluoride removal of 88.78% was achieved under the optimized conditions. Several error analysis equations were used to measure the goodness-of-fit. Kinetic studies showed that the adsorption followed a pseudo-second order reaction. The equilibrium data were analyzed using Langmuir, Freundlich, and Sips isotherm models at different temperatures. The Langmuir model was found to be describing the data. The adsorption capacity from the Langmuir isotherm (QL was found to be 29.212, 35.952 and 36.260 mg/g at 298, 303, and 313 K respectively.

  6. Fluoride

    Science.gov (United States)

    Opalescence® ... Fluoride is used to prevent tooth decay. It is taken up by teeth and helps to strengthen ... and block the cavity-forming action of bacteria. Fluoride usually is prescribed for children and adults whose ...

  7. Heterogeneous catalysis in fluoride melts - reduction of uranium(V) by hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Kelmers, A D; Bennett, M R [Oak Ridge National Lab., Tenn. (USA)

    1976-01-01

    A necessary step in fuel reprocessing for the Molten-Salt Breeder Reactor is the reduction of pentavalent uranium to tetravalent uranium by hydrogen gas. The pentavalent uranium is dissolved in a mixed fluoride melt. Results are presented which show that the hydrogen reduction is rate limited, possibly due to the dissociation of hydrogen molecules to yield active hydrogen atoms; and that by the application of platinum catalysts a 10- to 100-fold increase in the reaction rate can be achieved.

  8. Hydrogen adsorption in carbon nanostructures compared

    NARCIS (Netherlands)

    Schimmel, H.G.; Nijkamp, M.G.; Kearley, G.J.; Rivera, A.; de Jong, K.P.; Mulder, F.M.

    2004-01-01

    Recent reports continue to suggest high hydrogen storage capacities for some carbon nanostructures due to a stronger interaction between hydrogen and carbon. Here the interaction of hydrogen with activated charcoal, carbon nanofibers, single walled carbon nanotubes (SWNT), and electron beam ‘opened’

  9. Hydrogen Adsorption in Zeolite Studied with Sievert and Thermogravimetric Methods

    International Nuclear Information System (INIS)

    Lesnicenoks, P; Sivars, A; Grinberga, L; Kleperis, J

    2012-01-01

    Natural clinoptilolite (mixture from clinoptilolite, quartz and muscovite) is activated with palladium and tested for hydrogen adsorption capability at temperatures RT - 200°C. Thermogravimetric and volumetric methods showed that zeolite activated with palladium (1.25%wt) shows markedly high hydrogen adsorption capacity - up to 3 wt%. Lower amount of adsorbed hydrogen (∼1.5 wt%) was found for raw zeolite and activated with higher amount of palladium sample. Hypothesis is proposed that the heating of zeolite in argon atmosphere forms and activates the pore structure in zeolite material, where hydrogen encapsulation (trapping) is believed to occur when cooling down to room temperature. An effect of catalyst (Pd) on hydrogen sorption capability is explained by spillover phenomena were less-porous fractions of natural clinoptilolite sample (quartz and muscovite) are involved.

  10. Efficiency Comparison of Modified-Clay and Lime-Marlin the Adsorption of Fluoride from Aqueous Solution

    Directory of Open Access Journals (Sweden)

    Mohammad Taghi Samadi

    2016-06-01

    Full Text Available Background and purpose: Fluoride is one of the common anion in water that its concentration varies in different water supplies. Most of the body's requirement for fluoride is supplied through drinking water. Fluoride in low concentration is essential for human health but in high concentration is very hazardous for human health. The efficiency of modified-clay and lime-marl were investigated in this research as an adsorbent for the elimination of fluoride from aqueou solution.  Methods: In this study, the capability of modified-clay and lime-marl to adsorb fluoride ions was conducted using a series of batch tests in a shaker-incubator instrument. The effect of experimental parameters such as pH (4,7,10,  adsorbent dosage (1,5,10 g/L, initial fluoride concentration  (5,10,15 mg/L andcontact time (15-120 min were evaluated. The morphological and micro-structural character of  modified-clay and lime-marl have performed by using X-ray diffraction (XRD. The formation of the carboxylic functional groups was verified by Fourier transform infrared spectra (FT-IR.  Findings: results well demonstrate higher removal efficiency of fluoride was 95.23% and 28.71 by clay-modified and lime-marl, respectively; at 10 mg/L of fluoride concentration and 60 min contact time. The adsorption kinetics fitted well using the pseudo second-order kinetic model; however, equlibrium data were best fitted onto Langmiur isotherm model. The maximum adsorption capacities of modified-clay and lime-marl for fluoride were found to be 4.43 mg/g and 1.32 mg/g, respectively. Conclusion: According to our finding, it proposed that adsorption process by using modified clay is very efficient and economic process for fluoride removal from aqueous solution.

  11. Ab initio molecular dynamics simulation of hydrogen fluoride at several thermodynamic states

    DEFF Research Database (Denmark)

    Kreitmeir, M.; Bertagnolli, H.; Mortensen, Jens Jørgen

    2003-01-01

    Liquid hydrogen fluoride is a simple but interesting system for studies of the influence of hydrogen bonds on physical properties. We have performed ab initio molecular dynamics simulations of HF at several thermodynamic states, where we examine the microscopic structure of the liquid as well...

  12. Study of the behaviour of some heavy elements in solvents containing hydrogen fluoride

    International Nuclear Information System (INIS)

    Tarnero, M.

    1967-01-01

    The anhydrous liquid mixtures: dinitrogen tetroxide-hydrogen fluoride and antimony pentafluoride-hydrogen fluoride were studied as solvents for heavy elements interesting nuclear energy: uranium, thorium, zirconium and for some of their compounds. For N 2 O 4 -HF mixtures, electric conductivity measurements and liquid phase infrared spectra were also obtained. Uranium and zirconium tetrafluoride are much more soluble in N 2 O 4 -HF mixtures than in pure hydrogen fluoride. Uranium dissolved in these mixtures is pentavalent. In SbF 5 -HF mixtures, uranium dissolves with hydrogen evolution and becomes trivalent. The solid compound resulting from the dissolution is a fluoro-antimonate: U(SbF 6 ) 3 . (author) [fr

  13. Competitive adsorption characteristics of fluoride and phosphate on calcined Mg-Al-CO{sub 3} layered double hydroxides

    Energy Technology Data Exchange (ETDEWEB)

    Cai, Peng [School of Materials Science and Technology, China University of Geosciences, Beijing 100083 (China); Zheng, Hong, E-mail: zhengh@cugb.edu.cn [School of Materials Science and Technology, China University of Geosciences, Beijing 100083 (China); Wang, Chong; Ma, Hongwen; Hu, Jianchao; Pu, Yubing; Liang, Peng [School of Materials Science and Technology, China University of Geosciences, Beijing 100083 (China)

    2012-04-30

    Highlights: Black-Right-Pointing-Pointer The influences of pH, contact time and order of addition of the anions were obtained. Black-Right-Pointing-Pointer The kinetic data were found to fit very well the pseudo second-order kinetic model. Black-Right-Pointing-Pointer Data of equilibrium experiments were fitted well to Langmuir isotherm. Black-Right-Pointing-Pointer The competitive monolayer adsorption capacities obviously decreased. Black-Right-Pointing-Pointer ATR-FTIR proofs of competitive adsorption were obtained. - Abstract: With synthetic wastewater, competitive adsorption characteristics of fluoride and phosphate on calcined Mg-Al-CO{sub 3} layered double hydroxides (CLDH) were investigated. A series of batch experiments were performed to study the influence of various experimental parameters, such as pH, contact time, and order of addition of the anions on the competitive adsorption of fluoride and phosphate on CLDH. It was found that the optimal pH is around 6 and it took 24 h to attain equilibrium when fluoride and phosphate were simultaneous added. The order of addition of anions influenced the adsorption of fluoride and phosphate on CLDH. The kinetic data were analyzed using the pseudo first-order and pseudo second-order models and they were found to fit very well the pseudo second-order kinetic model. Data of equilibrium experiments were fitted well to Langmuir isotherm and the competitive monolayer adsorption capacities of fluoride and phosphate were found to be obviously lower than those of single anion at 25 Degree-Sign C. The results of X-ray diffraction, Scanning Electron Microscopy with energy-dispersive X-ray analyses, and ATR-FTIR demonstrate that the adsorption mechanism involves the rehydration of mixed metal oxides and concomitant intercalation of fluoride and phosphate ions into the interlayer to reconstruct the initial LDHs structure.

  14. Hydrogen adsorption on skeletal rhodium-tantalum electrodes-catalysts

    International Nuclear Information System (INIS)

    Tsinstevich, V.M.; Krejnina, N.M.

    1975-01-01

    Skeleton rhodium-tantalic catalyst electrodes with a tantalum mass percentage of 0 to 100 have been obtained by the methodology of Crupp and others. The hydrogen adsorption is studied through the method of removing the galvano-static and potentiodynamic curves of charging in sulfuric acid and potassium hydroxide. It has been discovered that the maximum adsorption ability relatively to the hydrogen can be observed in an alloy with a 5% tantalum contents. The energetic characteristics of the alloys are higher in alkali than in acid

  15. Highly efficient fluoride adsorption from aqueous solution by nepheline prepared from kaolinite through alkali-hydrothermal process.

    Science.gov (United States)

    Wang, Hao; Feng, Qiming; Liu, Kun; Li, Zishun; Tang, Xuekun; Li, Guangze

    2017-07-01

    A direct alkali-hydrothermal induced transformation process was adopted to prepare nepheline from raw kaolinite (shortened form RK in this paper) and NaOH solution in this paper. Structure and morphology characterizations of the synthetic product showed that the nepheline possessed high degree of crystallinity and uniform surface morphology. Specific surface area of nepheline is 18 m 2 /g, with a point of zero charge at around pH 5.0-5.5. The fluoride (F - ions) adsorption by the synthetic nepheline (shortened form SN in this paper) from aqueous solution was also investigated under different experimental conditions. The adsorption process well matched the Langmuir isotherm model with an amazing maximum adsorption capacity of 183 mg/g at 323 K. The thermodynamic parameters (ΔG 0 , ΔH 0 , and ΔS 0 ) for adsorption on SN were also determined from the temperature dependence. The adsorption capacities of fluoride on SN increased with increasing of temperature and initial concentration. Initial pH value also had influence on adsorption process. Adsorption of fluoride was rapidly increased in 5-60 min and thereafter increased slowly to reach the equilibrium in about 90-180 min under all conditions. The adsorption followed a pseudo-second order rate law. Copyright © 2017 Elsevier Ltd. All rights reserved.

  16. Adsorption of hydrogen gas and redox processes in clays.

    Science.gov (United States)

    Didier, Mathilde; Leone, Laura; Greneche, Jean-Marc; Giffaut, Eric; Charlet, Laurent

    2012-03-20

    In order to assess the adsorption properties of hydrogen gas and reactivity of adsorbed hydrogen, we measured H(2)(g) adsorption on Na synthetic montmorillonite-type clays and Callovo-Oxfordian (COx) clayrock using gas chromatography. Synthetic montmorillonites with increasing structural Fe(III) substitution (0 wt %, 3.2 wt %, and 6.4 wt % Fe) were used. Fe in the synthetic montmorillonites is principally present as structural Fe(III) ions. We studied the concomitant reduction of structural Fe(III) in the clays using (57)Fe Mössbauer spectrometry. The COx, which mainly contains smectite/illite and calcite minerals, is also studied together with the pure clay fraction of this clayrock. Experiments were performed with dry clay samples which were reacted with hydrogen gas at 90 and 120 °C for 30 to 45 days at a hydrogen partial pressure close to 0.45 bar. Results indicate that up to 0.11 wt % of hydrogen is adsorbed on the clays at 90 °C under 0.45 bar of relative pressure. (57)Fe Mössbauer spectrometry shows that up to 6% of the total structural Fe(III) initially present in these synthetic clays is reduced upon adsorption of hydrogen gas. No reduction is observed with the COx sample in the present experimental conditions.

  17. Adsorption process to recover hydrogen from feed gas mixtures having low hydrogen concentration

    Science.gov (United States)

    Golden, Timothy Christopher; Weist, Jr., Edward Landis; Hufton, Jeffrey Raymond; Novosat, Paul Anthony

    2010-04-13

    A process for selectively separating hydrogen from at least one more strongly adsorbable component in a plurality of adsorption beds to produce a hydrogen-rich product gas from a low hydrogen concentration feed with a high recovery rate. Each of the plurality of adsorption beds subjected to a repetitive cycle. The process comprises an adsorption step for producing the hydrogen-rich product from a feed gas mixture comprising 5% to 50% hydrogen, at least two pressure equalization by void space gas withdrawal steps, a provide purge step resulting in a first pressure decrease, a blowdown step resulting in a second pressure decrease, a purge step, at least two pressure equalization by void space gas introduction steps, and a repressurization step. The second pressure decrease is at least 2 times greater than the first pressure decrease.

  18. A model for the physical adsorption of atomic hydrogen

    NARCIS (Netherlands)

    Bruch, L.W.; Ruijgrok, Th.W.

    1979-01-01

    The formation of the holding potential of physical adsorption is studied with a model in which a hydrogen atom interacts with a perfectly imaging substrate bounded by a sharp planar surface; the exclusion of the atomic electron from the substrate is an important boundary condition in the model. The

  19. Formation of hydrogen fluoride by gamma and beta sterilisation in medical devices containing perfluoroheptane

    International Nuclear Information System (INIS)

    Zuendorf, Josef; Kremer, Stefan; Grueger, Thomas

    2008-01-01

    Infusion of hexadecafluoroheptane, a liquid perfluorocarbon released from repaired Althane dialysers was found to be the most probable reason for the deaths of 53 dialysis patients reported in the year 2001. This study focuses on toxic decomposition products generated due to gamma and beta sterilisation of hexadecafluoroheptane. The responsible dialysers were sterilised with a maximum dose of 45 kGy gamma irradiation. We investigated the influence of both 20-500 kGy gamma and beta irradiation on perfluoroheptane. Analysis of the irradiated samples verified the decomposition of perfluoroheptane in dependence on the dose of irradiation. Beta irradiation resulted in a higher degree of decomposition than the same dose of gamma irradiation. As decomposition products, hydrogen fluoride, CO 2 , and one saturated fluorinated hydrocarbon which could not be analysed exactly were identified. Even at 20 kGy gamma irradiation hydrogen fluoride was detectable. Our results provide evidence that hydrogen fluoride is generated as a highly toxic decomposition product when perfluoroheptane is sterilised with gamma irradiation as it was applied on the affected dialysers. There is no evidence of other toxic degradation products especially perfluoroisobutylene. Therefore, hydrogen fluoride or the dissociated fluoride ions might act as a toxic agent when medical devices containing liquid perfluorocarbons are sterilised by irradiation

  20. Relationship between carbon microstructure, adsorption energy and hydrogen adsorption capacity at different temperatures

    International Nuclear Information System (INIS)

    Jacek Jagiello; Matthias Thommes

    2005-01-01

    Various microporous materials such as activated carbons, nano-tubes, synthetic microporous carbons as well as metal organic framework materials are being considered for hydrogen storage applications by means of physical adsorption. To develop materials of practical significance for hydrogen storage it is important to understand the relationships between pore sizes, adsorption energies and adsorption capacities. The pore size distribution (PSD) characterization is traditionally obtained from the analysis of nitrogen adsorption isotherms measured at 77 K. However, a portion of the pores accessible to H 2 may not be accessible to N 2 at this temperature. Therefore, it was recently proposed to use the DFT analysis of H 2 adsorption isotherms to characterize pore structure of materials considered for hydrogen storage applications. In present work, adsorption isotherms of H 2 and N 2 at cryogenic temperatures are used for the characterization of carbon materials. Adsorption measurements were performed with Autosorb 1 MP (Quantachrome Instruments, Boynton Beach, Florida, USA). As an example, Fig 1 compares PSDs calculated for the activated carbon sample (F400, Calgon Carbon) using combined H 2 and N 2 data, and using N 2 isotherm only. The nitrogen derived PSD does not include certain amount of micropores which are accessible to H 2 but not to N 2 molecules. Obviously, the difference in the calculated PSDs by the two methods will depend on the actual content of small micropores in a given sample. Carbon adsorption properties can also be characterized by the isosteric heat of adsorption, Qst, related to the adsorption energy and dependent on the carbon pore/surface structure. Fig 2 shows Qst data calculated using the Clausius-Clapeyron equation from H 2 isotherms measured at 77 K and 87 K for the carbon molecular sieve CMS 5A (Takeda), oxidized single wall nano-tubes (SWNT), and graphitized carbon black (Supelco). The Qst values decrease with increasing pore sizes. The

  1. Thermodynamics of the conversion of calcium and magnesium fluorides to the parent metal oxides and hydrogen fluoride

    International Nuclear Information System (INIS)

    West, M.H.; Axler, K.M.

    1997-02-01

    The authors have used thermodynamic modeling to examine the reaction of calcium fluoride (CaF 2 ) and magnesium fluoride (MgF 2 ) with water (H 2 O) at elevated temperatures. The calculated, equilibrium composition corresponds to the global free-energy minimum for the system. Optimum, predicted reaction temperatures and reactant mole ratios are reported for the recovery of hydrogen fluoride (HF), a valuable industrial feedstock. Complete conversion of MgF 2 is found at 1,000 C and a ratio of 40 moles of H 2 O per 1 mole of MgF 2 . For CaF 2 , temperatures as high as 1,400 C are required for complete conversion at a corresponding mole ratio of 40 moles of H 2 O per 1 mole of CaF 2 . The authors discuss the presence of minor chemical constituents as well as the stability of various potential container materials for the pyrohydrolysis reactions at elevated temperatures. CaF 2 and MgF 2 slags are available as wastes at former uranium production facilities within the Department of Energy Complex and other facilities regulated by the Nuclear Regulatory Commission. Recovery of HF from these wastes is an example of environmental remediation at such facilities

  2. Corrosion and hydrogen absorption of commercially pure zirconium in acid fluoride solutions

    International Nuclear Information System (INIS)

    Yokoyama, Ken’ichi; Yamada, Daisuke; Sakai, Jun’ichi

    2013-01-01

    Highlights: •Zirconium corrodes and absorbs hydrogen in acid fluoride solutions. •Hydrogen thermal desorption is observed at 300–700 °C. •The resistance to hydrogen absorption of zirconium is higher than that of titanium. -- Abstract: The corrosion and hydrogen absorption of commercially pure zirconium have been investigated in acidulated phosphate fluoride (APF) solutions. Upon immersion in 2.0% APF solution of pH 5.0 at 25 °C, a granular corrosion product (Na 3 ZrF 7 ) deposits over the entire side surface of the specimen, thereby inhibiting further corrosion. In 0.2% APF solution, marked corrosion is observed from the early stage of immersion; no deposition of the corrosion product is observed by scanning electron microscopy. A substantial amount of hydrogen absorption is confirmed in both APF solutions by hydrogen thermal desorption analysis. The amount of absorbed hydrogen of the specimen immersed in the 2.0% APF solution is smaller than that in the 0.2% APF solution in the early stage of immersion. The hydrogen absorption behavior is not always consistent with the corrosion behavior. Hydrogen thermal desorption occurs in the temperature range of 300–700 °C for the specimen without the corrosion product. Under the same immersion conditions, the amount of absorbed hydrogen in commercially pure zirconium is smaller than that in commercially pure titanium as reported previously. The present results suggest that commercially pure zirconium, compared with commercially pure titanium, is highly resistant to hydrogen absorption, although corrosion occurs in fluoride solutions

  3. The sampling of hydrogen fluoride in air with impregnated filter paper

    NARCIS (Netherlands)

    Huygen, C.

    1963-01-01

    A method isproposed for the quantitative collection of hydrogen fluoride in air by drawing a known quantity of the air through filter paper impregnated with solutions of potassium hydroxide and glycerol or triethanolamine. Somu possibilities and limitations of the method are discussed.

  4. Fluoride adsorption from aqueous solution by magnetic core-shell Fe_3O_4@alginate-La particles fabricated via electro-coextrusion

    International Nuclear Information System (INIS)

    Zhang, Yahui; Lin, Xiaoyan; Zhou, Quisheng; Luo, Xuegang

    2016-01-01

    Graphical abstract: The magnetic core-shell Fe_3O_4@Alg-La particles were fabricated successfully by a simple method of electro-coextrusion, and employed as an adsorbent for separation of fluoride from aqueous solution. - Highlights: • Magnetic core-shell Fe_3O_4@Alg-La particles were prepared by electro-coextrusion. • The maximum adsorption capacity for fluoride at 298.15 K was 45.230 mg/g. • The adsorbent has a good saturation magnetization value. • The adsorbent has a great potential in removing the fluoride. - Abstract: The magnetic core-shell Fe_3O_4@Alg-La particles were fabricated successfully by a simple method of electro-coextrusion, and employed as an adsorbent for separation of fluoride from aqueous solution. Main factors affecting the removal of fluoride, including pH, adsorbent dosage, initial concentration, temperature and contact time were investigated. The adsorption isotherm and adsorption kinetics were studied to understand the adsorption process in detail. The experimental data were fitted well by the non-linear Freundlich isotherm and linear pseudo-second-order model, the maximum fluoride adsorption capacity was 45.230 mg/g at pH 4, 298.15 K. Thermodynamic parameters indicated that the fluoride adsorption process was feasible and spontaneous. The presence of other anions like Cl"−, SO_4"2"−, HCO_3"− and PO_4"3"− had almost no effect on the fluoride adsorption. The adsorbent can be easily separated from the solution by a magnet. The magnetic core-shell Fe_3O_4@Alg-La particles before and after fluoride adsorption were studied by SEM, FTIR, EDX and XPS, which indicated that the adsorption mechanism may be related to electrostatic attraction and Lewis acid-base interaction.

  5. Fluoride adsorption from aqueous solution by magnetic core-shell Fe{sub 3}O{sub 4}@alginate-La particles fabricated via electro-coextrusion

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yahui [School of Materials Science and Engineering, Southwest University of Science and Technology, Mianyang 621010, Sichuan (China); Engineering Research Center of Biomass Materials, Ministry of Education, Mianyang 621010, Sichuan (China); Lin, Xiaoyan, E-mail: lxy20100205@163.com [School of Materials Science and Engineering, Southwest University of Science and Technology, Mianyang 621010, Sichuan (China); Engineering Research Center of Biomass Materials, Ministry of Education, Mianyang 621010, Sichuan (China); Zhou, Quisheng [A State Key Laboratory of Pulp & Paper Engineering, South China University of Technology, Guangzhou 510640 (China); Luo, Xuegang [Engineering Research Center of Biomass Materials, Ministry of Education, Mianyang 621010, Sichuan (China)

    2016-12-15

    Graphical abstract: The magnetic core-shell Fe{sub 3}O{sub 4}@Alg-La particles were fabricated successfully by a simple method of electro-coextrusion, and employed as an adsorbent for separation of fluoride from aqueous solution. - Highlights: • Magnetic core-shell Fe{sub 3}O{sub 4}@Alg-La particles were prepared by electro-coextrusion. • The maximum adsorption capacity for fluoride at 298.15 K was 45.230 mg/g. • The adsorbent has a good saturation magnetization value. • The adsorbent has a great potential in removing the fluoride. - Abstract: The magnetic core-shell Fe{sub 3}O{sub 4}@Alg-La particles were fabricated successfully by a simple method of electro-coextrusion, and employed as an adsorbent for separation of fluoride from aqueous solution. Main factors affecting the removal of fluoride, including pH, adsorbent dosage, initial concentration, temperature and contact time were investigated. The adsorption isotherm and adsorption kinetics were studied to understand the adsorption process in detail. The experimental data were fitted well by the non-linear Freundlich isotherm and linear pseudo-second-order model, the maximum fluoride adsorption capacity was 45.230 mg/g at pH 4, 298.15 K. Thermodynamic parameters indicated that the fluoride adsorption process was feasible and spontaneous. The presence of other anions like Cl{sup −}, SO{sub 4}{sup 2−}, HCO{sub 3}{sup −} and PO{sub 4}{sup 3−} had almost no effect on the fluoride adsorption. The adsorbent can be easily separated from the solution by a magnet. The magnetic core-shell Fe{sub 3}O{sub 4}@Alg-La particles before and after fluoride adsorption were studied by SEM, FTIR, EDX and XPS, which indicated that the adsorption mechanism may be related to electrostatic attraction and Lewis acid-base interaction.

  6. A novel ultrasonication method in the preparation of zirconium impregnated cellulose for effective fluoride adsorption.

    Science.gov (United States)

    Barathi, M; Kumar, A Santhana Krishna; Rajesh, N

    2014-05-01

    In the present work, we propose for the first time a novel ultrasound assisted methodology involving the impregnation of zirconium in a cellulose matrix. Fluoride from aqueous solution interacts with the cellulose hydroxyl groups and the cationic zirconium hydroxide. Ultrasonication ensures a green and quick alternative to the conventional time intensive method of preparation. The effectiveness of this process was confirmed by comprehensive characterization of zirconium impregnated cellulose (ZrIC) adsorbent using Fourier transform infrared spectroscopy (FT-IR), energy dispersive X-ray spectrometry (EDX) and X-ray diffraction (XRD) studies. The study of various adsorption isotherm models, kinetics and thermodynamics of the interaction validated the method. Copyright © 2013 Elsevier B.V. All rights reserved.

  7. Study of neptunium hexafluoride formation and its adsorption on metallic fluorides

    International Nuclear Information System (INIS)

    Matcheret, Georges

    1970-01-01

    This report involves two parts. The first part deals with the action of elementary fluorine on neptunium compounds by a thermogravimetric method. The mechanism and the kinetics of this reaction vary according to the nature of the compound. 1 - With neptunium tetrafluoride the reaction, proceeds in a single step. The kinetics corresponds to a uniform attack of the entire surface of the sample and follows the kinetics law: (1-α) 1/3 1-k rel t . 2 - The reaction with neptunium dioxyde involves two steps, neptunium tetrafluoride being the intermediate compound. The kinetics of the first step corresponds to a diffusion process and follows the kinetic law: log (1-α) = kt 1/2 . The kinetics of the second step corresponds to an uniform attack of the entire sur face of the sample. The object of the second part is a study of the adsorption of uranium hexafluoride and neptunium hexafluoride on sodium, magnesium and barium fluorides by a volumetric method. The adsorption of UF 6 on MgF 2 has been investigated at 20 deg. C. The isothermal curve obtained is characteristic of a physical one layer monomolecular adsorption. In a way similar to the behaviour of UF 6 the adsorption of NpF 6 involves in addition a chemical reduction with formation of NpF 5 and release of fluorine. The reaction of NpF 6 with BaF 2 permitted to confirm the influence of the polarizing power of the Ba ++ ion on formation and stability of the product of addition. (author) [fr

  8. Preparation of Ti3C2 and Ti2C MXenes by fluoride salts etching and methane adsorptive properties

    Science.gov (United States)

    Liu, Fanfan; Zhou, Aiguo; Chen, Jinfeng; Jia, Jin; Zhou, Weijia; Wang, Libo; Hu, Qianku

    2017-09-01

    Here we reported the preparation of Ti3C2 MXene and Ti2C MXene by etching Ti3AlC2 and Ti2AlC with various fluoride salts in hydrochloric acid (HCl), including lithium fluoride (LiF), sodium fluoride (NaF), potassium fluoride (KF), and ammonium fluoride (NH4F). As-prepared Ti2C was further delaminated by urea, dimethylsulfoxide or ammonium hydroxide. Based on theoretical calculation and XPS results, the type of positive ions (Li+, Na+, K+, or NH4+) in etchant solution affect the surface structure of prepared MXene, which, in turn, affects the methane adsorption properties of MXene. The highest methane adsorption capacity is 8.5 cm3/g for Ti3C2 and 11.6 cm3/g for Ti2C. MXenes made from LiF and NH4F can absorb methane under high pressure and can keep methane under normal pressure, these MXenes may have important application on capturing methane or other hazardous gas molecules. MXenes made from NaF and KF can absorb methane under high pressure and release methane under low pressure. They can have important application in the adsorb storage of nature gas.

  9. Relationship between carbon microstructure, adsorption energy and hydrogen adsorption capacity at different temperatures

    International Nuclear Information System (INIS)

    Jagiello, J.; Thommes, M.

    2005-01-01

    Various microporous materials such as activated carbons, nano-tubes, synthetic micro-porous carbons as well as metal organic framework materials are being considered for hydrogen storage applications by means of physical adsorption. To develop materials of practical significance for hydrogen storage it is important to understand the relationships between pore sizes, adsorption energies and adsorption capacities. The pore size distribution (PSD) characterization is traditionally obtained from the analysis of nitrogen adsorption isotherms measured at 77 K. However, a portion of the pores accessible to H 2 may not be accessible to N 2 at this temperature. Therefore, it was recently proposed to use the DFT analysis of H 2 adsorption isotherms to characterize pore structure of materials considered for hydrogen storage applications [1]. In present work, adsorption isotherms of H 2 and N 2 at cryogenic temperatures are used for the characterization of carbon materials. Adsorption measurements were performed with Autosorb 1 MP [Quantachrome Instruments, Boynton Beach, Florida, USA]. As an example, Fig 1 compares PSDs calculated for the activated carbon sample (F400, Calgon Carbon) using combined H 2 and N 2 data, and using N 2 isotherm only. The nitrogen derived PSD does not include certain amount of micro-pores which are accessible to H 2 but not to N 2 molecules. Obviously, the difference in the calculated PSDs by the two methods will depend on the actual content of small micro-pores in a given sample. Carbon adsorption properties can also be characterized by the isosteric heat of adsorption, Qst, related to the adsorption energy and dependent on the carbon pore/surface structure. Fig 2 shows Qst data calculated using the Clausius-Clapeyron equation from H 2 isotherms measured at 77 K and 87 K for the carbon molecular sieve CMS 5A (Takeda), oxidized single wall nano-tubes (SWNT) [2], and graphitized carbon black (Supelco). The Qst values decrease with increasing pore

  10. Effects of basic nitrogen poisoning on adsorption of hydrogen on a hydrotreatment catalyst

    International Nuclear Information System (INIS)

    Entz, R.W.; Seapan, M.

    1985-01-01

    Activity of a hydrotreatment catalyst depends on the hydrogen adsorption characteristics of the catalyst. In this work, the adsorption of hydrogen on a Ni-Mo/Al/sub 2/O/sub 3/ catalyst (shell 324) has been studied using a TGA at 1 atm pressure and 200-400 0 C temperature. Hydrogen adsorption on a calcined catalyst was shown to be of activated type with a sudden increase in hydrogen adsorption around 350 0 C. When the catalyst is extracted with Tetrahydrofuran (THF), the hydrogen adsorption increases gradually as the temperature is increased, approaching a monolayer coverage of the catalyst surface. It is shown that solvent extraction of catalyst changes its hydrogen adsorption characteristics significantly. Indeed, at 400 0 C, an extracted catalyst adsorbs about four times more hydrogen than an unextracted catalyst. Adsorption of basic nitrogen compounds on the catalyst interferes with the hydrogen adsorption. The adsorption of pyridine, piperidine, n-pentylamine, and ammonia were studied at 400 0 C. It is shown that the strength of adsorption of piperidine and n-pentylamine are relatively similar, however their adsorption strength is higher than pyridine. Ammonia is the weakest adsorbing compound studied. These observations are in agreement with other studies

  11. The Effects of Water Spray Cooling in Conjunction with Halogenated Extinguishants on Hydrogen Fluoride Generation and Decay

    National Research Council Canada - National Science Library

    Burch, Ian

    2007-01-01

    The halogenated extinguishants Halon 1301, HFC-227ea (FM200) and NAF-S-III used within Royal Australian Navy vessels for total flooding fire suppression applications have hydrogen fluoride (HF) toxicity concerns...

  12. Evaluation of cryolite from pitinga (Amazonas-Brazil as a source of hydrogen fluoride

    Directory of Open Access Journals (Sweden)

    Jéssica F. Paulino

    2016-05-01

    Full Text Available This paper reports the use of cryolite from the Pitinga Mine (Amazonas state, Brazil as raw material in hydrogen fluoride production. Samples were initially characterized by chemical and mineralogical analyses. They presented low silica content (< 4 wt.%. After milling, cryolite samples were digested with concentrated sulfuric acid under stirring (200 rpm and variable temperature, time and liquid to solid ratio conditions. Under the best experimental conditions (140 °C, 3-5 h, 96 wt.% of fluorine was recovered as hydrogen fluoride. The application of a 23 full factorial design showed that temperature and reaction time were relevant parameters during leaching, whereas liquid to solid ratio was not statistically significant.

  13. Pore Structure and Fluoride Ion Adsorption Characteristics of Zr (IV) Surface-Immobilized Resin Prepared Using Polystyrene as a Porogen

    Science.gov (United States)

    Mizuki, Hidenobu; Ito, Yudai; Harada, Hisashi; Uezu, Kazuya

    Zr(IV) surface-immobilized resins for removal of fluoride ion were prepared by surface template polymerization using polystyrene as a porogen. At polymerization, polystyrene was added in order to increase mesopores (2-50 nm) and macropore (>50 nm) with large macropores (around 300 nm) formed with internal aqueous phase of W⁄O emulsion. The pore structure of Zr(IV) surface-immobilized resins was evaluated by measuring specific surface area, pore volume, and pore size distribution with volumetric adsorption measurement instrument and mercury porosimeter. The adsorption isotherms were well fitted by Langmuir equation. The removal of fluoride was also carried out with column method. Zr(IV) surface-immobilized resins, using 10 g⁄L polystyrene in toluene at polymerization, possessed higher volume of not only mesopores and macropores but also large macropores. Furethermore, by adding the polystyrene with smaller molecular size, the pore volume of mesopores, macropores and large macropores was significantly increased, and the fluoride ion adsorption capacity and the column utilization also increased.

  14. Hydrogen fluoride capture by imidazolium acetate ionic liquid

    Science.gov (United States)

    Chaban, Vitaly

    2015-04-01

    Extraction of hydrofluoric acid (HF) from oils is a drastically important problem in petroleum industry, since HF causes quick corrosion of pipe lines and brings severe health problems to humanity. Some ionic liquids (ILs) constitute promising scavenger agents thanks to strong binding to polar compounds and tunability. PM7-MD simulations and hybrid density functional theory are employed here to consider HF capture ability of ILs. Discussing the effects and impacts of the cation and the anion separately and together, we evaluate performance of imidazolium acetate and outline systematic search guidelines for efficient adsorption and extraction of HF.

  15. A green synthetic approach to graphene nanosheets for hydrogen adsorption

    International Nuclear Information System (INIS)

    Yuan Wenhui; Li Baoqing; Li Li

    2011-01-01

    A green and facile strategy of preparing graphene by reducing exfoliated graphite oxide (GO) with glucose was developed in this study. The as-prepared samples were characterized by X-ray diffraction (XRD), Raman spectroscopy, Fourier transform infrared spectroscopy (FT-IR), Scanning electron microscopy (SEM), Transmission electron microscopy (TEM) and Atomic force microscopy (AFM). The characterization results indicated that the graphene sheets (GS) were of high quality with smooth surface, rich pore structure and few layer graphene. The samples have a BET specific surface area of 1205.8 m 2 g -1 measured by N 2 adsorption at 77 K. The hydrogen storage capacity of 2.7 wt.% at 298 K and 25 bar demonstrated that the as-prepared graphene employing glucose as reductant is supposed to be a promising material with outstanding property for hydrogen storage.

  16. Calculation of the electronic structure and contact hyperfine parameters of interstitial hydrogen in alkaline - earth fluorides

    International Nuclear Information System (INIS)

    Oliveira, L.E.M.C. de.

    1976-01-01

    The electronic structure of the interstitial hydrogen atom in alkaline-earth fluorides has been studied using the self-consistent-field multiple-scattering Xα method. In the calculations a cluster constituted by the hydrogen atom and its first anion and cation neighbors has been used. The contact parameters with the proton and the fluorine nuclei have been evaluated. The agreement obtained with the experimental results is in general good and indicates that this method is also appropriate to study defects in ionic crystals. (author) [pt

  17. Fibronectin adsorption and cell response on electroactive poly(vinylidene fluoride) films

    International Nuclear Information System (INIS)

    Ribeiro, C; Panadero, J A; Sencadas, V; Lanceros-Méndez, S; Tamaño, M N; Moratal, D; Salmerón-Sánchez, M; Gómez Ribelles, J L

    2012-01-01

    Due to the large potential of electroactive materials in novel tissue engineering strategies, the aim of this work is to determine if the crystalline phase and/or the surface electrical charge of electroactive poly(vinylidene fluoride), PVDF, have influence on the biological response in monolayer cell culture. Non-polar α-PVDF and electroactive β-PVDF were prepared. The β-PVDF films were poled by corona discharge to show negative or positive electrical surface charge density. It has been concluded that hydrophilicity of the PVDF substrates depends significantly on crystalline phase and polarity. Furthermore, by means of atomic force microscopy and an enzyme-linked immunosorbent assay test, it has been shown that positive or negative poling strongly influences the behavior of β-PVDF supports with respect to fibronectin (FN) adsorption, varying the exhibition of adhesion ligands of adsorbed FN. Culture of MC3T3-E1 pre-osteoeblasts proved that cell proliferation depends on surface polarity as well. These results open the viability of cell culture stimulation by mechanical deformation of a piezoelectric substrate that results in varying electrical charge densities on the substrate surface. (paper)

  18. Catalase and sodium fluoride mediated rehabilitation of enamel bleached with 37% hydrogen peroxide

    Directory of Open Access Journals (Sweden)

    Ruchi Thakur

    2015-01-01

    Full Text Available Background: Bleaching agents bring about a range of unwanted changes in the physical structure of enamel which needs to be restored qualitatively and timely. Catalase being an antioxidant ensures the effective removal of free radicals and improvement in fluoride mediated remineralization from the enamel microstructure which if retained may harm the integrity and affect the hardness of enamel. Materials and Methods: Thirty freshly extracted incisors were sectioned to 6 slabs which were divided into 5 groups: Group A, control; Group B, treatment with 37% hydrogen peroxide (HP; Group C, treatment with 37% HP and catalase, Group D, treatment with 37% HP and 5% sodium fluoride application, Group E, treatment with 37% HP followed by catalase and 5% sodium fluoride. Scanning electron microscope and microhardness analysis were done for all slabs. One-way ANOVA test was applied among different groups. Results: Vicker′s microhardness number (VHN of Group B and C was significantly lower. No significant difference between VHN of Group B and C. VHN of Group D was significantly higher than Group A, B, and C; but significantly lower than Group E. VHN of Group E was significantly higher than any other experimental group. One-way ANOVA revealed a highly significant P value (P = 0.0001 and so Tukey′s post-hoc Test for the group comparisons was employed. Conclusion: Subsequent treatment of bleached enamel with catalase and fluoride varnish separately results in repairing and significantly increasing the microhardness.

  19. Zirconium-carbon hybrid sorbent for removal of fluoride from water: oxalic acid mediated Zr(IV) assembly and adsorption mechanism

    Science.gov (United States)

    Halla, Velazquez-Jimenez Litza; Hurt Robert, H; Juan, Matos; Rene, Rangel-Mendez Jose

    2014-01-01

    When activated carbon (AC) is modified with zirconium(IV) by impregnation or precipitation, the fluoride adsorption capacity is typically improved. There is significant potential to improve these hybrid sorbent by controlling the impregnation conditions, which determine the assembly and dispersion of the Zr phases on carbon surfaces. Here, commercial activated carbon was modified with Zr(IV) together with oxalic acid (OA) used to maximize the zirconium dispersion and enhance fluoride adsorption. Adsorption experiments were carried out at pH 7 and 25 °C with a fluoride concentration of 40 mg L−1. The OA/Zr ratio was varied to determine the optimal conditions for subsequent fluoride adsorption. The data was analyzed using the Langmuir and Freundlich isotherm models. FTIR, XPS and the surface charge distribution were performed to elucidate the adsorption mechanism. Potentiometric titrations showed that the modified activated carbon (ZrOx-AC) possesses positive charge at pH lower than 7, and FTIR analysis demonstrated that zirconium ions interact mainly with carboxylic groups on the activated carbon surfaces. Moreover, XPS analysis demonstrated that Zr(IV) interacts with oxalate ions, and the fluoride adsorption mechanism is likely to involve –OH− exchange from zirconyl oxalate complexes. PMID:24359079

  20. Adsorption removal of hydrogen sulfide gas. IV. Characteristics of adsorbents for the adsorption removal of hydrogen sulfide gas

    Energy Technology Data Exchange (ETDEWEB)

    Boki, K

    1974-10-25

    The amount of hydrogen sulfide gas adsorbed was affected by the surface properties (surface pH, acid strength, acid amount, and basic amount), the surface structure (pore volume), and the surface form (scanning electron microscopic observation) of 32 tested adsorbents. In general, the amount adsorption increased in the following order, amount of H/sub 2/S adsorbed on the silicate adsorbents, on the active carbon adsorbents, and on the zeolite adsorbents. The amount of H/sub 2/S adsorbed on magnesium silicate and silica gel adsorbents was mainly affected by the surface structure, and the amount adsorbed on the aluminum silicate adsorbents was affected by the distinctions on the surface forms of the adsorbents. The amount of H/sub 2/S adsorbed on 10 kinds of active carbon was determined by the surface properties and the surface structures of the adsorbents. The amount adsorbed on 12 kinds of zeolites was determined by either the surface properties or by the surface structures of the adsorbents. The amount of H/sub 2/S adsorbed on the silicate, active carbon, and zeolite adsorbents interacted with the heat of adsorption, and among the same kinds of adsorbents, the amount adsorbed was linearly related to the heat of adsorption.

  1. Kinetics of hydrogen adsorption on MgH{sub 2}/CNT composite

    Energy Technology Data Exchange (ETDEWEB)

    Rather, Sami ullah, E-mail: rathersami@gmail.com; Taimoor, Aqeel Ahmad; Muhammad, Ayyaz; Alhamed, Yahia Abobakor; Zaman, Sharif Fakhruz; Ali, Arshid Mahmood

    2016-05-15

    Highlights: • Hydrogen adsorption comparisons of commercial, milled, and MgH{sub 2} composite. • Hydrogen adsorption capacity and kinetics improves tremendously by CNT embedding. • Unsteady state modeling and simulation of adsorption kinetics. - Abstract: Magnesium hydride (MgH{sub 2})–carbon nanotubes (CNT) composite has been prepared by high-energy ball milling method and their experimental and kinetic hydrogen adsorption studies was assessed. Hydrogen adsorption studies were performed by Sievert’s volumetric apparatus and kinetic evaluation was conducted by surface chemistry and Langmuir–Hinshelwood–Hougen–Watson (LHHW) type mode. Powder X-ray diffraction (XRD) and field emission scanning electron microscopy (FESEM) were performed. Hydrogen adsorption capacity of commercial MgH{sub 2}, milled MgH{sub 2}, and MgH{sub 2}/CNT composite are found to be 0.04, 0.057, and 0.059 g (H{sub 2})/g (MgH{sub 2}) at 673 K and hydrogen pressure of 4.6 MPa. Addition of 5 wt% of CNTs to MgH{sub 2} proved to be very critical to enhance hydrogen adsorption as well as to improve its kinetics. It was observed that hydrogen adsorption is not in quasi-state equilibrium and is modeled using kinetic rate laws.

  2. Benzene adsorption and hydrogenation on Pd-Ru alloy by pulse chromatography

    International Nuclear Information System (INIS)

    Dobrokhotov, V.G.; Pavlova, L.F.; Gryaznov, V.M.

    1983-01-01

    Pulse chromatography has been applied to investigate benzene adsorption and hydrogenation on the Walls of a capillary of the Pd-6% Ru alloy at different hydrogen contents in the alloy and various methods of hydrogen supply: as a mixture with benzene vapors or by diffusion through the walls of the capillary. It is stated that reversible adsorption of benzene vapors on the Pd-6% Ru alloy at 303 K under the conditions of the β-phase existence in the alloy-hydrogen system does not change whereas in the region of the α-phase existence it slightly increases with a growth of hydrogen pressure. Strongly adsorbed benzene occupies approximately 7% of the surface. Only strongly adsorbed benzene is hydrogenated on the α-phase of the alloy-hydrogen system. Hydrogen supply to the hydrogenation zone by diffusion throUgh the alloy results in supersaturation of the surface active in the reaction of benzene hydrogenation with a chemisorbed hydrogen form

  3. Characteristics of selective fluoride adsorption by biocarbon-Mg/Al layered double hydroxides composites from protein solutions: kinetics and equilibrium isotherms study.

    Science.gov (United States)

    Ma, Wei; Lv, Tengfei; Song, Xiaoyan; Cheng, Zihong; Duan, Shibo; Xin, Gang; Liu, Fujun; Pan, Decong

    2014-03-15

    In the study, two novel applied biocarbon-Mg/Al layered double hydroxides composites (CPLDH and CPLDH-Ca) were successfully prepared and characterized by TEM, ICP-AES, XFS, EDS, FTIR, XRD, BET and pHpzc. The fluoride removal efficiency (RF) and protein recovery ratio (RP) of the adsorbents were studied in protein systems of lysozyme (LSZ) and bovine serum albumin (BSA). The results showed that the CPLDH-Ca presented remarkable performance for selective fluoride removal from protein solution. It reached the maximum RF of 92.1% and 94.8% at the CPLDH-Ca dose of 2.0g/L in LSZ and BSA system, respectively. The RP in both systems of LSZ and BSA were more than 90%. Additionally, the RP of CPLDH-Ca increased with the increase of ionic strengths, and it almost can be 100% with more than 93% RF. Fluoride adsorption by the CPLDH-Ca with different initial fluoride concentrations was found to obey the mixed surface reaction and diffusion controlled adsorption kinetic model, and the overall reaction rate is probably controlled by intra-particle diffusion, boundary layer diffusion and reaction process. The adsorption isotherms of fluoride in BSA system fit the Langmuir-Freundlich model well. The BSA has synergistic effect on fluoride adsorption and the degree increased with the increase of the initial BSA concentration. Copyright © 2014 Elsevier B.V. All rights reserved.

  4. Effect of controlled deactivation on the thermochemical characteristics of hydrogen adsorption on skeletal nickel from sodium hydroxide-water solutions

    Science.gov (United States)

    Prozorov, D. A.; Lukin, M. V.; Ulitin, M. V.

    2013-04-01

    Differential heats of adsorption in a wide range of surface coverage and maximum amounts of adsorbed hydrogen are determined by adsorption calorimetry on partially deactivated skeletal nickel from aqueous solutions of sodium hydroxide. The effect of the composition of solutions on the values of limiting adsorption and adsorption equilibria of individual forms of hydrogen is shown.

  5. Comparison of linear and non-linear models for the adsorption of fluoride onto geo-material: limonite.

    Science.gov (United States)

    Sahin, Rubina; Tapadia, Kavita

    2015-01-01

    The three widely used isotherms Langmuir, Freundlich and Temkin were examined in an experiment using fluoride (F⁻) ion adsorption on a geo-material (limonite) at four different temperatures by linear and non-linear models. Comparison of linear and non-linear regression models were given in selecting the optimum isotherm for the experimental results. The coefficient of determination, r², was used to select the best theoretical isotherm. The four Langmuir linear equations (1, 2, 3, and 4) are discussed. Langmuir isotherm parameters obtained from the four Langmuir linear equations using the linear model differed but they were the same when using the nonlinear model. Langmuir-2 isotherm is one of the linear forms, and it had the highest coefficient of determination (r² = 0.99) compared to the other Langmuir linear equations (1, 3 and 4) in linear form, whereas, for non-linear, Langmuir-4 fitted best among all the isotherms because it had the highest coefficient of determination (r² = 0.99). The results showed that the non-linear model may be a better way to obtain the parameters. In the present work, the thermodynamic parameters show that the absorption of fluoride onto limonite is both spontaneous (ΔG 0). Scanning electron microscope and X-ray diffraction images also confirm the adsorption of F⁻ ion onto limonite. The isotherm and kinetic study reveals that limonite can be used as an adsorbent for fluoride removal. In future we can develop new technology for fluoride removal in large scale by using limonite which is cost-effective, eco-friendly and is easily available in the study area.

  6. Preparation of sodium fluoride agglomerates for selective adsorption of uranium hexafluoride (U F6)

    International Nuclear Information System (INIS)

    Castro, A.R.; Maximiano, C.; Shimba, R.; Silva, E.R.F.

    1995-01-01

    Uranium hexafluoride (U F 6 ) and Sodium Fluoride (NaF) reacts reversibly to form a solid complex. Such reversibility accounts for the great interest in using Sodium Fluoride (NaF) to separate Uranium Hexafluoride (U F 6 ) from other gases. Therefore a chemical trap offers an alternative to the cryogenic trapping device. (author). 3 refs, 1 fig, 4 tabs

  7. Effects of hydrogen fluoride and wounding on respiratory enzymes in soybean leaves

    Energy Technology Data Exchange (ETDEWEB)

    Lee, C J; Miller, G W; Welkie, G W

    1966-01-01

    Soybeans (Glycine max, merr, Var. Hawkeye) were cultured in Hoagland's solution and fumigated with hydrogen fluoride (ca. 100 ppb). After 24, 96 and 144 hr of fumigation, the enzyme activities of cytochrome oxidase, peroxidase, catalase, polyphenol oxidase, ascorbic acid oxidase and glucose-6-phosphate dehydrogenase were assayed in leaves from fumigated and control plants. The total oxygen uptake after each time of treatment was measured. The effect of mechanically wounding the tissue on the above enzymes was determined by rubbing with carborundum. Glucose-6-phosphate dehydrogenase activity from fumigated leaves showed an average increase of 5 to 22 times that of the control. Cytochrome oxidase, peroxidase and catalase activities were markedly stimulated by fluoride fumigation. Polyphenol oxidase activity was suppressed throughout the fumigation period. Ascorbic acid oxidase was stimulated at the initial state, then showed a steady decrease in activity. In vitro tests revealed that ascorbic acid oxidase and peroxidase were very sensitive to fluoride ions. Polyphenol oxidase was only slightly inhibited by 10/sup -2/M KF solution. Cytochrome oxidase and catalase were not affected by KF up to 10/sup -2/M. Total respiration throughout the treatment period showed an accelerated rate. All enzymes studied were stimulated by wounding. The effect of HF on respiration and specific enzymes is discussed in terms of direct effects and injury. 48 references, 8 tables.

  8. Ionic liquid and solid HF equivalent amine-poly(hydrogen fluoride) complexes effecting efficient environmentally friendly isobutane-isobutylene alkylation.

    Science.gov (United States)

    Olah, George A; Mathew, Thomas; Goeppert, Alain; Török, Béla; Bucsi, Imre; Li, Xing-Ya; Wang, Qi; Marinez, Eric R; Batamack, Patrice; Aniszfeld, Robert; Prakash, G K Surya

    2005-04-27

    Isoparaffin-olefin alkylation was investigated using liquid as well as solid onium poly(hydrogen fluoride) catalysts. These new immobilized anhydrous HF catalysts contain varied amines and nitrogen-containing polymers as complexing agents. The liquid poly(hydrogen fluoride) complexes of amines are typical ionic liquids, which are convenient media and serve as HF equivalent catalysts with decreased volatility for isoparaffin-olefin alkylation. Polymeric solid amine:poly(hydrogen fluoride) complexes are excellent solid HF equivalents for similar alkylation acid catalysis. Isobutane-isobutylene or 2-butene alkylation gave excellent yields of high octane alkylates (up to RON = 94). Apart from their excellent catalytic performance, the new catalyst systems significantly reduce environmental hazards due to the low volatility of complexed HF. They represent a new, "green" class of catalyst systems for alkylation reactions, maintaining activity of HF while minimizing its environmental hazards.

  9. Effect of nitrogen doping of graphene oxide on hydrogen and hydroxyl adsorption

    Energy Technology Data Exchange (ETDEWEB)

    Min, Byeong June; Jeong, Hae Kyung [Daegu University, Kyungsan (Korea, Republic of)

    2014-05-15

    We investigate how nitrogen-doping affects the hydrogen (H) and the hydroxyl (OH) adsorption on graphene oxide (GO) and on nitrogen-doped GO (NGO) via pseudopotential plane wave density functional calculations within the local spin density approximation. We find that the nitrogen doping brings about drastic changes in the hydrogen and the hydroxyl adsorption energetics, but its effects depend sensitively on the nitrogen configuration in NGO. The H and the OH adsorption energies are comparable only for pyrrolic NGO. In GO and quarternary NGO, the H adsorption energy is greater than the OH adsorption energy while the trend is reversed in pyridinic NGO. Also, the OH adsorption process is less affected by nitrogen-doping than the H adsorption is.

  10. Adsorbent synthesis of polypyrrole/TiO(2) for effective fluoride removal from aqueous solution for drinking water purification: Adsorbent characterization and adsorption mechanism.

    Science.gov (United States)

    Chen, Jie; Shu, Chiajung; Wang, Ning; Feng, Jiangtao; Ma, Hongyu; Yan, Wei

    2017-06-01

    More than 20 countries are still suffering problems of excessive fluoride containing water, and greater than 8mg/L fluoride groundwater has been reported in some villages in China. In order to meet the challenge in the drinking water defluoridation engineering, a high efficiency and affinity defluoridation adsorbent PPy/TiO 2 composite was designed and synthetized by in-situ chemical oxidative polymerization. Fourier Transform Infrared Spectroscopy (FTIR), X-ray diffraction Investigator (XRD), X-ray photoelectron spectroscopy (XPS), Thermogravimetric analysis (TG), N 2 isotherm analysis, Scanning Electron Microscopy (SEM) and Zeta potential analysis were conducted to characterize surface and textural properties of the as-prepared PPy/TiO 2 , and the possibility of fluoride adsorption was carefully estimated by adsorption isotherm and kinetic studies. Characterization investigations demonstrate the uniqueness of surface and textural properties, such as suitable specific surface area and abundant positively charged nitrogen atoms (N + ), which indicate the composite is a suitable material for the fluoride adsorption. Adsorption isotherms and kinetics follow better with Langmuir and pseudo-second-order model, respectively. The maximum adsorption capacity reaches 33.178mg/g at 25°C according to Langmuir model, and particular interest was the ability to reduce the concentration of fluoride from 11.678mg/L to 1.5mg/L for drinking water at pH of 7 within 30min. Moreover, the adsorbent can be easily recycled without the loss of adsorption capacity after six cycles, greatly highlighting its outstanding affinity to fluoride, low-cost and novel to be used in the purification of fluoride containing water for drinking. Furthermore, the adsorption mechanism was extensively investigated and discussed by FTIR investigation and batch adsorption studies including effect of pH, surface potential and thermodynamics. The adsorption is confirmed to be a spontaneous and exothermic

  11. HERSCHEL/HIFI OBSERVATIONS OF HYDROGEN FLUORIDE TOWARD SAGITTARIUS B2(M)

    International Nuclear Information System (INIS)

    Monje, R. R.; Emprechtinger, M.; Phillips, T. G.; Lis, D. C.; Goldsmith, P. F.; Bergin, E. A.; Bell, T. A.; Neufeld, D. A.; Sonnentrucker, P.

    2011-01-01

    Herschel/HIFI observations have revealed the presence of widespread absorption by hydrogen fluoride (HF) J = 1-0 rotational transition, toward a number of Galactic sources. We present observations of HF J = 1-0 toward the high-mass star-forming region Sagittarius B2(M). The spectrum obtained shows a complex pattern of absorption, with numerous features covering a wide range of local standard of rest velocities (-130 to 100 km -1 ). An analysis of this absorption yields HF abundances relative to H 2 of ∼1.3 x 10 -8 , in most velocity intervals. This result is in good agreement with estimates from chemical models, which predict that HF should be the main reservoir of gas-phase fluorine under a wide variety of interstellar conditions. Interestingly, we also find velocity intervals in which the HF spectrum shows strong absorption features that are not present, or are very weak, in spectra of other molecules, such as 13 CO (1-0) and CS (2-1). HF absorption reveals components of diffuse clouds with small extinction that can be studied for the first time. Another interesting observation is that water is significantly more abundant than hydrogen fluoride over a wide range of velocities toward Sagittarius B2(M), in contrast to the remarkably constant H 2 O/HF abundance ratio with average value close to unity measured toward other Galactic sources.

  12. A DFT study of hydrogen adsorption on Be, Mg and Ca frameworks in erionite zeolite

    Energy Technology Data Exchange (ETDEWEB)

    Fellah, Mehmet Ferdi, E-mail: mferdi.fellah@btu.edu.tr

    2017-02-01

    Highlights: • Mg-ERI and Ca-ERI clusters have much lower chemical potential and hardness. • Adsorption enthalpies for Mg- and Ca-ERI are importantly greater than the liquefaction enthalpy of hydrogen. • Mg-ERI and Ca-ERI clusters have much HOMO-LUMO gap indicating higher reactivity. • Ca- and Mg-ERI are potential cryoadsorbent materials for hydrogen storage. - Abstract: The molecular hydrogen adsorption was investigated on additional frameworks with earth alkaline metal atoms (Be, Mg and Ca) in 24T ERI zeolite cluster model by means of Density Functional Theory study. HOMO and LUMO energy values, chemical potential, chemical hardness, electronegativity, adsorption energy and adsorption enthalpy values have been calculated in this study. Mg-ERI and Ca-ERI clusters have much lower chemical potentials with much lower adsorption energy values when compared to the value of Be-ERI cluster. Additionally, they are softer than Be-ERI cluster with respect to their lower chemical hardness values. Hydrogen adsorption enthalpy values were computed as −3.6 and −3.9 kJ/mol on Mg-ERI and Ca-ERI clusters, respectively. These adsorption enthalpy values are significantly larger than the enthalpy value of liquefaction for hydrogen molecule. This consequently specifies that Mg-ERI and Ca-ERI zeolite structures which have higher chemical reactivity appear to be a promising candidate cryoadsorbent for hydrogen storage.

  13. Direct measurements of adsorption heats of hydrogen on nano-porous carbons

    International Nuclear Information System (INIS)

    Akihiko Matsumoto; Kazumasa Yamamoto; Tomoyuki Miyata

    2005-01-01

    Since a exciting report of hydrogen storage in single-walled carbon nano-tubes by Dillon and his colleagues, nano-porous carbon materials, such as carbon nano-tubes, carbon nano-horns and micro-porous activated carbon, have attracted considerable attention as hydrogen storage materials. Adsorption plays a predominating role in the hydrogen storage process on solid surfaces. The adsorption is a spontaneous process, which is caused by interaction between gas molecules and surface, hence, it is always exothermic process and observed as adsorption heats. For this reason, direct measurement of the adsorption heats by adsorption micro-calorimetry would provide quantitative information on the strength of adsorption interaction and the adsorption mechanism. However, the adsorption amounts of hydrogen on carbon materials are far less than those of condensable vapors near room temperature due to low critical temperature of hydrogen (33.2 K), therefore, the adsorption heats can not be determined accurately at conventional measurement conditions near room temperature and the atmospheric pressure. This contribution reports the calorimetric characterization of hydrogen adsorption on nano-porous carbon materials at low temperature and high-pressure conditions. The high-pressure adsorption apparatus consists of a volumetric adsorption line connected to a twin-conduction type microcalorimeter. Activated carbon fibers (ACF, Ad'all Co.) of different micro-pore sizes (Table 1) were used as model adsorbents. Each ACF has slit-shaped micropores of uniform size. The adsorption isotherms and differential heats of adsorption at high-pressure region from 0 to 10 MPa were simultaneously measured at isothermal condition from 203 to 298 K. The adsorption isotherms on ACF were of Henry type regardless of adsorption temperature and pore width; the uptakes increased linearly with equilibrium pressure. The adsorption isotherm at lower sorption temperature tended to show higher sorptivity. The

  14. Direct measurements of adsorption heats of hydrogen on nano-porous carbons

    International Nuclear Information System (INIS)

    Akihiko, Matsumoto; Kazumasa, Yamamoto; Tomoyuki, Miyata

    2005-01-01

    Since a exciting report of hydrogen storage in single-walled carbon nano-tubes by Dillon and his colleagues [1], nano-porous carbon materials, such as carbon nano-tubes, carbon nano-horns and micro-porous activated carbon, have attracted considerable attention as hydrogen storage materials. Adsorption plays a predominating role in the hydrogen storage process on solid surfaces. The adsorption is a spontaneous process, which is caused by interaction between gas molecules and surface, hence, it is always exothermic process and observed as adsorption heats. For this reason, direct measurement of the adsorption heats by adsorption microcalorimetry would provide quantitative information on the strength of adsorption interaction and the adsorption mechanism. However, the adsorption amounts of hydrogen on carbon materials are far less than those of condensable vapors near room temperature due to low critical temperature of hydrogen (33.2 K), therefore, the adsorption heats can not be determined accurately at conventional measurement conditions near room temperature and the atmospheric pressure. This contribution reports the calorimetric characterization of hydrogen adsorption on nano-porous carbon materials at low temperature and high-pressure conditions. The high-pressure adsorption apparatus consists of a volumetric adsorption line connected to a twin-conduction type microcalorimeter. Activated carbon fibers (ACF, Ad'all Co.) of different micropore sizes (Table 1) were used as model adsorbents. Each ACF has slit-shaped micropores of uniform size [2]. The adsorption isotherms and differential heats of adsorption at high-pressure region from 0 to 10 MPa were simultaneously measured at isothermal condition from 203 to 298 K. The adsorption isotherms on ACF were of Henry type regardless of adsorption temperature and pore width; the uptakes increased linearly with equilibrium pressure. The adsorption isotherm at lower sorption temperature tended to show higher sorptivity

  15. Defluoridation of drinking water using Al3+-modified bentonite clay: Optimization of fluoride adsorption conditions

    CSIR Research Space (South Africa)

    Vhahangwele, M

    2014-11-01

    Full Text Available , cation exchange capacity (CEC) by ammonium acetate method, and pH(subpzc) by solid addition method. Chemical constituents of water were determined by atomic absorption spectrometry (AAS), ion selective electrode (Crison 6955 Fluoride selective electrode...

  16. Formation of H a - hydrogen centers upon additive coloration of alkaline-earth fluoride crystals

    Science.gov (United States)

    Radzhabov, E. A.; Egranov, A. V.; Shendrik, R. Yu.

    2017-06-01

    The mechanism of coloration of alkaline-earth fluoride crystals CaF2, SrF2, and BaF2 in calcium vapors in an autoclave with a cold zone is studied. It was found that the pressure in the autoclave upon constant evacuation by a vacuum pump within the temperature range of 500-800°C increases due to evaporation of metal calcium. In addition to the optical-absorption bands of color centers in the additively colored undoped crystals or to the bands of divalent ions in the crystals doped with rare-earth Sm, Yb, and Tm elements, there appear intense bands in the vacuum ultraviolet region at 7.7, 7.0, and 6.025 eV in CaF2, SrF2, and BaF2, respectively. These bands belong to the Ha - hydrogen centers. The formation of hydrogen centers is also confirmed by the appearance of the EPR signal of interstitial hydrogen atoms after X-ray irradiation of the additively colored crystals. Grinding of the outer edges of the colored crystals leads to a decrease in the hydrogen absorption-band intensity with depth to complete disappearance. The rate of hydrogen penetration inside the crystal is lower than the corresponding rate of color centers (anion vacancies) by a factor of tens. The visible color density of the outer regions of the hydrogen-containing crystals is several times lower than that of the inner region due to the competition between the color centers and hydrogen centers.

  17. Hydrogen adsorption and desorption in carbon nanotube systems and its mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Shiraishi, M.; Takenobu, T.; Ata, M. [Materials Laboratories, SONY Corporation, Shin-Sakuragaoka 2-1-1, Hodogaya-ku, 240-0036, Yokohama (Japan); Kataura, H. [Department of Physics, Faculty of Science, Tokyo Metropolitan University, Minami-Osawa, Hachioji, 192-0397, Tokyo (Japan)

    2004-04-01

    The hydrogen physisorption properties in single-walled carbon nanotube (SWNT) based materials were characterized. The SWNTs were highly purified and three useful pores for hydrogen physisorption were activated. Hydrogen was physisorbed in intra-tube pores at room temperature and the capacity was estimated to be about 0.3-0.4 wt. % at room temperature. The adsorption capacity can be explained by the Langmuir model. The intra-tube pores have large adsorption potential and this induces hydrogen physisorption at comparatively higher temperatures. This fact indicates the importance of fabricating sub-nanometer ordered pores for this phenomena. (orig.)

  18. Atomic hydrogen and oxygen adsorptions in single-walled zigzag silicon nanotubes

    International Nuclear Information System (INIS)

    Chen, Haoliang; Ray, Asok K.

    2013-01-01

    Ab initio calculations have been performed to study the electronic and geometric structure properties of zigzag silicon nanotubes. Full geometry and spin optimizations have been performed without any symmetry constraints with an all electron 3-21G* basis set and the B3LYP hybrid functional. The largest zigzag SiNT studied here, (12, 0), has a binding energy per atom of 3.584 eV. Atomic hydrogen and oxygen adsorptions on (9, 0) and (10, 0) nanotubes have also been studied by optimizing the distances of the adatoms from both inside and outside the tube. The adatom is initially placed in four adsorption sites-parallel bridge (PB), zigzag bridge (ZB), hollow, and on-top site. The on-top site is the most preferred site for hydrogen atom adsorbed on (9, 0), with an adsorption energy of 3.0 eV and an optimized distance of 1.49 Å from the adatom to the nearest silicon atom. For oxygen adsorption on (9, 0), the most preferred site is the ZB site, with an adsorption energy of 5.987 eV and an optimized distance of 1.72 Å. For atomic hydrogen adsorption on (10, 0), the most preferred site is also the on-top site with an adsorption energy of 3.174 eV and an optimized distance of 1.49 Å. For adsorption of atomic oxygen on (10, 0), the most preferred site is PB site, with an adsorption energy of 6.306 eV and an optimized distance of 1.71 Å. The HOMO–LUMO gaps of (9, 0) after adsorptions of hydrogen and oxygen atoms decrease while the HOMO–LUMO gaps of (10, 0) increase after adsorption of hydrogen and oxygen

  19. Hydrogen fluoride effects on local mung bean and maize cereal crops from peri-urban brick kilns in south asia

    NARCIS (Netherlands)

    Ahmad, M.N.; Ahmad, S.S.; Zia, A.; Iqbal, M.S.; Shah, H.; Mian, A.A.; Shah, R.U.

    2014-01-01

    Increased urbanisation throughout South Asia has increased the number and output of the brick kilns that typically surround major cities, but the environmental and health impacts of their atmospheric emissions are poorly understood in Pakistan. We report the negative effects of hydrogen fluoride

  20. The effect of atomic hydrogen adsorption on single-walled carbon nano tubes properties

    International Nuclear Information System (INIS)

    Jalili, S.; Majidi, R.

    2007-01-01

    We investigated the adsorption of hydrogen atoms on metallic single-walled carbon nano tubes using ab initio molecular dynamics method. It was found that the geometric structures and the electronic properties of hydrogenated SWNTs can be strongly changed by varying hydrogen coverage. The circular cross sections of the CNTs were changed with different hydrogen coverage. When hydrogen is chemisorbed on the surface of the carbon nano tube, the energy gap will be appeared. This is due to the degree of the Sp 3 hybridization, and the hydrogen coverage can control the band gap of the carbon nano tube

  1. Hydrogen fluoride (HF) substance flow analysis for safe and sustainable chemical industry.

    Science.gov (United States)

    Kim, Junbeum; Hwang, Yongwoo; Yoo, Mijin; Chen, Sha; Lee, Ik-Mo

    2017-11-01

    In this study, the chemical substance flow of hydrogen fluoride (hydrofluoric acid, HF) in domestic chemical industries in 2014 was analyzed in order to provide a basic material and information for the establishment of organized management system to ensure safety during HF applications. A total of 44,751 tons of HF was made by four domestic companies (in 2014); import amount was 95,984 tons in 2014 while 21,579 tons of HF was imported in 2005. The export amount of HF was 2180 tons, of which 2074 ton (China, 1422 tons, U.S. 524 tons, and Malaysia, 128 tons) was exported for the manufacturing of semiconductors. Based on the export and import amounts, it can be inferred that HF was used for manufacturing semiconductors. The industries applications of 161,123 tons of HF were as follows: manufacturing of basic inorganic chemical substance (27,937 tons), manufacturing of other chemical products such as detergents (28,208 tons), manufacturing of flat display (24,896 tons), and manufacturing of glass container package (22,002 tons). In this study, an analysis of the chemical substance flow showed that HF was mainly used in the semiconductor industry as well as glass container manufacturing. Combined with other risk management tools and approaches in the chemical industry, the chemical substance flow analysis (CSFA) can be a useful tool and method for assessment and management. The current CSFA results provide useful information for policy making in the chemical industry and national systems. Graphical abstract Hydrogen fluoride chemical substance flows in 2014 in South Korea.

  2. Modeling of the thermal effects of hydrogen adsorption on activated carbon

    International Nuclear Information System (INIS)

    Richard, M.-A.; Chahine, R.

    2006-01-01

    'Full text:' Heat management is one of the most critical issues for the design of efficient adsorption-based storage of hydrogen. We present simulations of mass and energy balance for hydrogen and nitrogen adsorption on activated carbon over wide temperature and pressure ranges. First, the Dubinin-Astakhov (DA) model is adapted to model excess hydrogen and nitrogen adsorption isotherms at high pressures and supercritical temperatures assuming a constant microporous adsorption volume. The five parameter modified D-A adsorption model is shown to fit the experimental data over the temperature range (35 K-293 K) for hydrogen and (93 K-298 K) for nitrogen and pressure range (0-6 MPa) within the experimental uncertainties of the measurement system. We derive the thermodynamic properties of the adsorbed phase from this analytical expression of the measured data. The mass and energy rate balance equations in a microporous adsorbent/adsorbate system are then presented and validated with nitrogen desorption experiments. Finally, simulations of adiabatic and isothermal filling of adsorption-based hydrogen storage are presented and discussed. (author)

  3. Grand Canonical Monte Carlo simulations of hydrogen adsorption on aluminophosphate molecular sieves

    Energy Technology Data Exchange (ETDEWEB)

    Song, Mee Kyung [Bioinformatics and Molecular Design Research Center, B138A, Yonsei Engineering Research Complex, Yonsei University, Seoul 120-749 (Korea); No, Kyoung Tai [Department of Biotechnology, College of Life Science and Biotechnology, Yonsei University, Seoul 120-749 (Korea)

    2009-03-15

    The hydrogen adsorption simulations were carried for several model AlPOs (VPI-5, AlPO-5, AlPO-11 and AlPO-25) employing the Grand Canonical Monte Carlo (GCMC) simulations at 77 K to investigate the effect of pore size and the pore volume on the hydrogen uptake. The adsorption capacity showed no relationship with the pore size, surface area and micropore volume of AlPOs. However, the adsorption capacity per unit micropore volume increased as the pore size decreases. The heat of adsorption also increased as the pore size decreases. For all model AlPOs, the hydrogen exists homogeneously near the oxygen atoms in the framework. (author)

  4. Adsorption of triton X100 and potassium hydrogen phthalate on granular activated carbon from date pits

    Energy Technology Data Exchange (ETDEWEB)

    Merzougui, Z.; Nedjah, S.; Azoudj, Y.; Addoun, F. [Laboratoire d' etude physic-chimique des materiaux et application a l' environnement, Faculte de Chimie, USTHB (Algeria)], E-mail: zmerzougi@yahoo.fr

    2011-07-01

    Activated carbons, thanks to their versatility, are being used in the water treatment sector to absorb pollutants. Several factors influence the adsorption capacity of activated carbon and the aim of this study was to assess the effects of the porous texture and chemical nature of activated carbons on the adsorption of triton X100 and potassium hydrogen phthalate. Activated carbons used in this study were prepared from date pits with ZnCl2, KOH and H3PO4 by carbonization without adjuvant and adsorption of triton X100 and potassium hydrogen phthalate was conducted at 298K. Results showed that activated carbons prepared from date pits have a great potential for removing organic and inorganic pollutants from water and that the adsorption potential depends on the degree of activation of the activated carbons and on the compounds to absorb. This study highlighted that an increase of the carbon surface area and porosity results in a better adsorption capacity.

  5. Comparison of La3+ and mixed rare earths-loaded magnetic chitosan beads for fluoride adsorption

    DEFF Research Database (Denmark)

    Liang, Peng; An, Ruiqi; Li, Ruifen

    2018-01-01

    La3+ and mixed-rare earth magnetic chitosan beads (MCLB and MCLRB) were successfully prepared for fluoride removal, respectively. The adsorbents were characterized by scanning electron microscope and magnetic response. Batch experiments were carried out to investigate the adsorbent performance...

  6. A density functional study on the adsorption of hydrogen molecule ...

    Indian Academy of Sciences (India)

    tive adsorption of H2 onto the minimum energy copper clusters by using the density ... theoretical study of molecular oxygen and atomic oxy- gen adsorption onto small ...... the values for all singlet spin states are zero, indicating that no ...

  7. Hydrogen Adsorption on Activated Carbon an Carbon Nanotubes Using Volumetric Differential Pressure Technique

    International Nuclear Information System (INIS)

    Sanip, S. M.; Saidin, M. A. R.; Aziz, M.; Ismail, A. F.

    2010-01-01

    A simple hydrogen adsorption measurement system utilizing the volumetric differential pressure technique has been designed, fabricated and calibrated. Hydrogen adsorption measurements have been carried out at temperatures 298 K and 77 K on activate carbon and carbon nanotubes with different surface areas. The adsorption data obtained will be helpful in understanding the adsorption property of the studied carbon materials using the fundamentals of adsorption theory. The principle of the system follows the Sievert-type method. The system measures a change in pressure between the reference cell, R1 and the sample cell S1, S2, S3 over a certain temperature range, R1, S1, S2, and S3 having known fixed volume. The sample temperatures will be monitored by thermocouple TC while the pressures in R1 an S1, S2, S3 will be measured using a digital pressure transducer. The maximum operating pressure of the pressure transducer is 20 bar and calibrated with an accuracy of ±0.01 bar. High purity hydrogen is being used in the system and the amount of samples for the study is between 1.0-2.0 grams. The system was calibrated using helium gas without any samples in S1, S2 an S3. This will provide a correction factor during the adsorption process providing an adsorption free reference point when using hydrogen gas resulting in a more accurate reading of the adsorption process by eliminating the errors caused by temperature expansion effects and other non-adsorption related phenomena. The ideal gas equation of state is applied to calculate the hydrogen adsorption capacity based on the differential pressure measurements. Activated carbon with a surface area of 644.87 m 2 /g showed a larger amount of adsorption as compared to multiwalled nanotubes (commercial) with a surface area of 119.68 m 2 /g. This study als indicated that there is a direct correlation between the amounts of hydrogen adsorbed an surface area of the carbon materials under the conditions studied and that the adsorption

  8. Thermodynamics of hydrogen adsorption in MOF-177 at low temperatures: measurements and modelling

    Energy Technology Data Exchange (ETDEWEB)

    Poirier, Eric [College of Engineering, Purdue University, West Lafayette, IN 47907 (United States); Dailly, Anne [Chemical and Environmental Sciences Laboratory, General Motors Corporation, Warren, MI 48090 (United States)], E-mail: poirierem@gmail.com, E-mail: anne.dailly@gm.com

    2009-05-20

    Hydrogen adsorption measurements and modelling for the Zn-based microporous metal-organic framework (MOF) Zn{sub 4}O(1,3,5-benzenetribenzoate){sub 2}, MOF-177, were performed over the 50-77 K and 0-40 bar ranges. The maximum excess adsorption measured under these conditions varies over about 105-70 mg g{sup -1}. An analysis of the isotherms near saturation shows that hydrogen is ultimately adsorbed in an incompressible phase whose density is comparable to that of the bulk liquid. These liquid state properties observed under supercritical conditions reveal a remarkable effect of nanoscale confinement. The entire set of adsorption isotherms can be well described using a micropore filling model. The latter is used, in particular, to determine the absolute amounts adsorbed and the adsorption enthalpy. When expressed in terms of absolute adsorption, the isotherms show considerable hydrogen storage capacities, reaching up to 125 mg g{sup -1} at 50 K and 25 bar. The adsorption enthalpies are calculated as a function of fractional filling and range from 3 to 5 kJ mol{sup -1} in magnitude, in accordance with physisorption. These results are discussed with respect to a similar analysis performed on another Zn-based MOF, Zn{sub 4}O(1,4-benzenedicarboxylate){sub 3}, IRMOF-1, presented recently. It is found that both materials adsorb hydrogen by similar mechanisms.

  9. Thermodynamics of hydrogen adsorption in MOF-177 at low temperatures: measurements and modelling

    International Nuclear Information System (INIS)

    Poirier, Eric; Dailly, Anne

    2009-01-01

    Hydrogen adsorption measurements and modelling for the Zn-based microporous metal-organic framework (MOF) Zn 4 O(1,3,5-benzenetribenzoate) 2 , MOF-177, were performed over the 50-77 K and 0-40 bar ranges. The maximum excess adsorption measured under these conditions varies over about 105-70 mg g -1 . An analysis of the isotherms near saturation shows that hydrogen is ultimately adsorbed in an incompressible phase whose density is comparable to that of the bulk liquid. These liquid state properties observed under supercritical conditions reveal a remarkable effect of nanoscale confinement. The entire set of adsorption isotherms can be well described using a micropore filling model. The latter is used, in particular, to determine the absolute amounts adsorbed and the adsorption enthalpy. When expressed in terms of absolute adsorption, the isotherms show considerable hydrogen storage capacities, reaching up to 125 mg g -1 at 50 K and 25 bar. The adsorption enthalpies are calculated as a function of fractional filling and range from 3 to 5 kJ mol -1 in magnitude, in accordance with physisorption. These results are discussed with respect to a similar analysis performed on another Zn-based MOF, Zn 4 O(1,4-benzenedicarboxylate) 3 , IRMOF-1, presented recently. It is found that both materials adsorb hydrogen by similar mechanisms.

  10. Adsorption of hydrogen in Scandium/Titanium decorated nitrogen doped carbon nanotube

    Energy Technology Data Exchange (ETDEWEB)

    Mananghaya, Michael, E-mail: mikemananghaya@gmail.com [De La Salle University, 2401 Taft Ave, 0922, Manila (Philippines); DLSU STC Laguna Boulevard, LTI Spine Road Barangays Biñan and Malamig, Biñan City, Laguna (Philippines); DOST-ASTHRDP, PCIEERD, Gen. Santos Ave., Bicutan, Taguig City 1631 (Philippines); Belo, Lawrence Phoa; Beltran, Arnel [De La Salle University, 2401 Taft Ave, 0922, Manila (Philippines); DLSU STC Laguna Boulevard, LTI Spine Road Barangays Biñan and Malamig, Biñan City, Laguna (Philippines)

    2016-09-01

    Nitrogen doped Carbon Nanotube with divacancy (4ND-CN{sub x}NT) that is decorated with Scandium and Titanium as potential hydrogen storage medium using the pseudo potential density functional method was investigated. Highly localized states near the Fermi level, which are derived from the nitrogen defects, contribute to strong Sc and Ti bindings, which prevent metal aggregation and improve the material stability. A detailed Comparison of the Hydrogen adsorption capability with promising system-weight efficiency of Sc over Ti was elucidated when functionalized with 4ND-CN{sub x}NT. Finally, the (Sc/4ND){sub 10}-CN{sub x}CNT composite material has a thermodynamically favorable adsorption and consecutive adsorption energy for ideal reversible adsorption and desorption of hydrogen at room temperature such that it can hold at least 5.8 wt% hydrogen molecules at the LDA and GGA level. - Highlights: • Carbon Nanotube with divacancy (4ND-CN{sub x}NT) decorated with Sc and Ti. • Nitrogen defects, contribute to strong Sc and Ti bindings. • H{sub 2} and (Sc/4ND){sub 10}-CN{sub x}CNT has a favorable adsorption. • 5.8 wt% adsorption at the LDA and GGA level.

  11. Adsorption process of fluoride from drinking water with magnetic core-shell Ce-Ti@Fe3O4 and Ce-Ti oxide nanoparticles.

    Science.gov (United States)

    Abo Markeb, Ahmad; Alonso, Amanda; Sánchez, Antoni; Font, Xavier

    2017-11-15

    Synthesized magnetic core-shell Ce-Ti@Fe 3 O 4 nanoparticles were tested, as an adsorbent, for fluoride removal and the adsorption studies were optimized. Adsorption capacity was compared with the synthesized Ce-Ti oxide nanoparticles. The adsorption equilibrium for the Ce-Ti@Fe 3 O 4 adsorbent was found to occur in cycles of adsorption-desorption. Although the nanoparticles suffer slight structure modifications after their reusability, they keep their adsorption capacity. Likewise, the efficiency of the Ce-Ti@Fe 3 O 4 was demonstrated when applied to real water to obtain a residual concentration of F - below the maximum contaminated level, 1.5mg/L (WHO, 2006). Copyright © 2017 Elsevier B.V. All rights reserved.

  12. Absorption, distribution and excretion of inhaled hydrogen fluoride in the rat

    Energy Technology Data Exchange (ETDEWEB)

    Morris, J.B.

    1979-01-01

    Rats were subjected to whole body HF exposure for 6 hrs or to nose-only HF exposure for 1 hr. Total and/or ionic fluoride concentrations in selected tissues were determined at various times following exposure. In rats sacrificed 6 hrs after whole body exposure, dose-dependent increases in lung, plasma, and kidney total and ionic fluoride concentration occurred. Rats excreted more fluoride in the urine after whole body exposure than could be explained by the amount of HF inhaled. Considerable evidence suggests that airborne HF deposits on fur and is then ingested due to preening activity. Urinary fluoride excretion was increased by nose-only exposure. The urinary fluoride excretion accounted for approximately twice the fluoride estimated to be inhaled during exposure. Tissue fluoride concentrations were elevated immediately after nose-only exposure. Fluoride concentrations in lung and kidney returned to control levels within 12 hrs. Plasma fluoride concentration was slightly elevated 24 hrs after the start of the 1 hr exposure but was at control levels at 96 hrs. Immediately following nose-only exposure, lung ionic fluoride concentrations were less than plasma ionic fluoride concentrations suggesting that the fluoride in the lung had reached that site via plasma transport rather than by inhalation. A dose-dependent increase in plasma ionic fluoride concentration occurred after upper respiratory tract HF exposure providing strong evidence that fluoride is absorbed systemically from that site. The plasma ionic fluoride concentration after upper respiratory tract exposure was of sufficient magnitude to account for the plasma fluoride concentrations observed in intact nose-only exposed rats. (ERB)

  13. Hydrogen Adsorption on Activated Carbon an Carbon Nanotubes Using Volumetric Differential Pressure Technique

    Science.gov (United States)

    Sanip, S. M.; Saidin, M. A. R.; Aziz, M.; Ismail, A. F.

    2010-03-01

    A simple hydrogen adsorption measurement system utilizing the volumetri differential pressure technique has been designed, fabricated and calibrated. Hydroge adsorption measurements have been carried out at temperatures 298 K and 77 K on activate carbon and carbon nanotubes with different surface areas. The adsorption data obtained will b helpful in understanding the adsorption property of the studied carbon materials using th fundamentals of adsorption theory. The principle of the system follows the Sievert-type metho The system measures a change in pressure between the reference cell, R1 and the sample cell S1, S2, S3 over a certain temperature range. R1, S1, S2, and S3 having known fixed volume The sample temperatures will be monitored by thermocouple TC while the pressures in R1 an S1, S2, S3 will be measured using a digital pressure transducer. The maximum operatin pressure of the pressure transducer is 20 bar and calibrated with an accuracy of ±0.01 bar. Hig purity hydrogen is being used in the system and the amount of samples for the study is betwee 1.0-2.0 grams. The system was calibrated using helium gas without any samples in S1, S2 an S3. This will provide a correction factor during the adsorption process providing an adsorption free reference point when using hydrogen gas resulting in a more accurate reading of th adsorption process by eliminating the errors caused by temperature expansion effects and oth non-adsorption related phenomena. The ideal gas equation of state is applied to calculate th hydrogen adsorption capacity based on the differential pressure measurements. Activated carbo with a surface area of 644.87 m2/g showed a larger amount of adsorption as compared to multiwalled nanotubes (commercial) with a surface area of 119.68 m2/g. This study als indicated that there is a direct correlation between the amounts of hydrogen adsorbed an surface area of the carbon materials under the conditions studied and that the adsorption significant at 77

  14. A study on hydrogen storage through adsorption in nano-structured carbons; Etude du stockage d'hydrogene par adsorption dans des carbones nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Langohr, D

    2004-10-15

    The aim of this work is to build and calibrate an experimental set-up for the testing of the materials, to produce some carbon materials in large amounts and characterise them, and finally, to test these materials in their ability to store hydrogen. This will help in establishing a link between the hydrogen storage capacities of the carbons and their nano-structure. The script is divided into four chapters. The first chapter will deal with the literature review on the thematic of hydrogen storage through adsorption in the carbon materials, while the second chapter will present the experimental set-up elaborated in the laboratory. The third chapter explains the processes used to produce the two families of carbon materials and finally, the last chapter presents the structural characterisation of the samples as well as the experimental results of hydrogen storage on the materials elaborated. (author)

  15. A study on hydrogen storage through adsorption in nano-structured carbons; Etude du stockage d'hydrogene par adsorption dans des carbones nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Langohr, D

    2004-10-15

    The aim of this work is to build and calibrate an experimental set-up for the testing of the materials, to produce some carbon materials in large amounts and characterise them, and finally, to test these materials in their ability to store hydrogen. This will help in establishing a link between the hydrogen storage capacities of the carbons and their nano-structure. The script is divided into four chapters. The first chapter will deal with the literature review on the thematic of hydrogen storage through adsorption in the carbon materials, while the second chapter will present the experimental set-up elaborated in the laboratory. The third chapter explains the processes used to produce the two families of carbon materials and finally, the last chapter presents the structural characterisation of the samples as well as the experimental results of hydrogen storage on the materials elaborated. (author)

  16. A theoretical study of hydrogen atoms adsorption and diffusion on PuO_2 (110) surface

    International Nuclear Information System (INIS)

    Yu, H.L.; Tang, T.; Zheng, S.T.; Shi, Y.; Qiu, R.Z.; Luo, W.H.; Meng, D.Q.

    2016-01-01

    The mechanisms of adsorption and diffusion of hydrogen atoms on the PuO_2 (110) surface are investigated by density functional theory corrected for onsite Coulombic interactions (GGA + U). In order to find out the energetically more favorable adsorption site and optimum diffusion path, adsorption energy of atomic H on various sites and the diffusion energy barrier are derived and compared. Our results show that both chemisorption and physisorption exist for H atoms adsorption configurations on PuO_2 (110) surface. Two processes for H diffusion are investigated using the climbing nudged-elastic-band (cNEB) approach. We have identified two diffusion mechanisms, leading to migration of atomic H on the surface and diffusion from surface to subsurface. The energy barriers indicate that it is energetically more favorable for H atom to be on the surface. Hydrogen permeation through purity PuO_2 surface is mainly inhibited from hydrogen atom diffusion from surface to subsurface. - Highlights: • H atoms adsorption on PuO_2 (110) surface are investigated by GGA + U. • Both chemisorption and physisorption exist for H atoms adsorption configurations. • H atoms migration into PuO_2 (100) surface are inhibited with the barrier of 2.15 eV. • H atoms diffusion on PuO_2 (110) surface are difficult at room temperature.

  17. Time-resolved output spectrum from a hydrogen fluoride laser using mixtures of SF6 and HI

    International Nuclear Information System (INIS)

    Greiner, N.R.

    1975-01-01

    The time-resolved spectrum from a transverse-discharge hydrogen fluoride (HF) laser using a mixture of SF 6 and HI is reported. Because this spectrum matches that from a high-pressure H 2 -F 2 laser, and because the SF 6 -HI mixture is chemically stable, this laser should be a suitable and convenient source for probing H 2 -F 2 amplifiers

  18. Influence of surface treatments on micropore structure and hydrogen adsorption behavior of nanoporous carbons.

    Science.gov (United States)

    Kim, Byung-Joo; Park, Soo-Jin

    2007-07-15

    The scope of this work was to control the pore sizes of porous carbons by various surface treatments and to investigate the relation between pore structures and hydrogen adsorption capacity. The effects of various surface treatments (i.e., gas-phase ozone, anodic oxidation, fluorination, and oxygen plasma) on the micropore structures of porous carbons were investigated by N(2)/77 K isothermal adsorption. The hydrogen adsorption capacity was measured by H(2) isothermal adsorption at 77 K. In the result, the specific surface area and micropore volume of all of the treated samples were slightly decreased due to the micropore filling or pore collapsing behaviors. It was also found that in F(2)-treated carbons the center of the pore size distribution was shifted to left side, meaning that the average size of the micropores decreased. The F(2)- and plasma-treated samples showed higher hydrogen storage capacities than did the other samples, the F(2)-treated one being the best, indicating that the micropore size of the porous carbons played a key role in the hydrogen adsorption at 77 K.

  19. Adsorption and temperature-programmed desorption of hydrogen with dispersed platinum and platinum-gold catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Anderson, J.R.; Foger, K.; Breakspere, R.J.

    1979-05-01

    Adsorption and temperature-programmed desorption of hydrogen with dispersed platinum and platinum-gold catalysts was studied with 0.9-3Vertical Bar3< platinum on silica gel, aerosil, sodium and lanthanum Y zeolites, and ..gamma..-alumina, and on aerosil-supported gold-platinum alloys containing 2, 10, 24, 33, and 85Vertical Bar3< gold. Surface enrichment with gold in the alloy systems, as derived from hydrogen adsorption data and predicted from surface enrichment theory and electron microscopic measurements of particle size, were in good agreement, which indicated that equilibrium was achieved by the thermal treatment (oxygen at 573/sup 0/K, hydrogen at 620/sup 0/K, repeated cycles) used. Hydrogen spillover to gold was observed at the higher hydrogen pressures tested on the alloys with high gold content, and to the zeolite supports. The temperature-programed desorption profiles were independent of gold content, which indicated that gold acts only as diluent, and that isolated surface platinum atoms become populated with hydrogen atoms either by hydrogen atom spillover from platinum ensembles to gold and from the gold to the isolated platinum, and/or by adsorption of a molecule directly on the isolated platinum and chemisorption of one H atom at an adjacent gold atom. The distribution of surface platinum ensembles was evaluated by a computer simulation method.

  20. Adsorption of hydrogen on clean and modified magnesium films

    DEFF Research Database (Denmark)

    Johansson, Martin; Ostenfeld, Christopher Worsøe; Chorkendorff, Ib

    2006-01-01

    films at H/Mg ratios less than 2% is developed. The activation barrier for hydrogen dissociation is 72 +/- 15 kJ/mole H-2, and a stagnant hydrogen uptake is observed. For platinum-catalyzed films, the barrier is significantly reduced, and there is no stagnation in the uptake rate....

  1. Hydrogen fluoride damage to vegetation from peri-urban brick kilns in Asia: A growing but unrecognised problem?

    International Nuclear Information System (INIS)

    Ahmad, Muhammad Nauman; Berg, Leon J.L. van den; Shah, Hamid Ullah; Masood, Tariq; Büker, Patrick; Emberson, Lisa; Ashmore, Mike

    2012-01-01

    The rapid urbanisation of many cities in south and south-east Asia has increased the demand for bricks, which are typically supplied from brick kilns in peri-urban areas. We report visible foliar damage to mango, apricot and plum trees in the vicinity of traditional Bull’s Trench brick kilns in Peshawar, Pakistan. Visible injury symptoms, hydrogen fluoride concentrations in air, and foliar fluoride concentrations were all greater in the vicinity of brick kilns than at more distant sites, indicating that fluoride emissions from brick kilns were the main cause of damage. Interviews with local farmers established the significant impact of this damage on their livelihoods. Since poorly regulated brick kilns are often found close to important peri-urban agricultural areas, we suggest that this may be a growing but unrecognised environmental problem in regions of Asia where emission control in brick kilns has not been improved. - Highlights: ► Demand for bricks is increasing in many parts of Asia. ► Fluoride emissions from brick kilns may pose a threat to peri-urban agriculture. ► We found extensive injury to fruit orchards close to brick kilns in Peshawar. ► Local farmers suffered large economic losses but did not identify brick kilns as a cause of this. ► The extent of crop damage from brick kilns with poor emission control in the region may not be fully recognised. - Hydrogen fluoride emissions from brick kilns may cause extensive but unrecognised damage to peri-urban crops in Asia.

  2. A computational study on the hydrogen adsorption capacity of various lithium-doped boron hydrides.

    Science.gov (United States)

    Pan, Sudip; Giri, Santanab; Chattaraj, Pratim K

    2012-02-05

    An aromatic boron hydride B(3)H(3)(2-) and its various Li/Li(+) doped isomers have been studied at the B3LYP/6-311+G(d) and M06/6-311+G(d) levels of theory to assess their hydrogen storage potential. Different types of interaction energies, reaction enthalpies and reaction electrophilicities associated with the hydrogen adsorption process suggest that B(3)H(3)(2-) itself and some of its Li-decorated analogues may turn out to be effective hydrogen storage material. Nucleus independent chemical shift and conceptual density functional theory based reactivity descriptors lend additional support. The temperature-pressure phase diagram identifies the temperature-pressure zone where the reaction Gibbs free energy for the hydrogen adsorption is negative making it a thermodynamically feasible process. Copyright © 2011 Wiley Periodicals, Inc.

  3. Adsorption, hydrogenation and dehydrogenation of C2H on a CoCu bimetallic layer

    Science.gov (United States)

    Wu, Donghai; Yuan, Jinyun; Yang, Baocheng; Chen, Houyang

    2018-05-01

    In this paper, adsorption, hydrogenation and dehydrogenation of C2H on a single atomic layer of bimetallic CoCu were investigated using first-principles calculations. The CoCu bimetallic layer is formed by Cu replacement of partial Co atoms on the top layer of a Co(111) surface. Our adsorption and reaction results showed those sites, which have stronger adsorption energy of C2H, possess higher reactivity. The bimetallic layer possesses higher reactivity than either of the pure monometallic layer. A mechanism of higher reactivity of the bimetallic layer is proposed and identified, i.e. in the bimetallic catalyst, the catalytic performance of one component is promoted by the second component, and in our work, the catalytic performance of Co atoms in the bimetallic layer are improved by introducing Cu atoms, lowing the activation barrier of the reaction of C2H. The bimetallic layer could tune adsorption and reaction of C2H by modulating the ratio of Co and Cu. Results of adsorption energies and adsorption configurations reveal that C2H prefers to be adsorbed in parallel on both the pure Co metallic and CoCu bimetallic layers, and Co atoms in subsurface which support the metallic or bimetallic layer have little effect on C2H adsorption. For hydrogenation reactions, the products greatly depend on the concentration and initial positions of hydrogen atoms, and the C2H hydrogenation forming acetylene is more favorable than forming vinylidene in both thermodynamics and kinetics. This study would provide fundamental guidance for hydrocarbon reactions on Co-based and/or Cu-based bimetallic surface chemistry and for development of new bimetallic catalysts.

  4. Toxicity levels to humans during acute exposure to hydrogen fluoride - An update

    Energy Technology Data Exchange (ETDEWEB)

    Halton, D M

    1995-09-01

    In March 1993, the Atomic Energy Control Board (AECB) commissioned and update of a 1984 review on the acute toxicity of hydrogen fluoride (HF). The study places particular emphasis on the effects of inhalation of gaseous HF and is divided into two main parts: a literature review and a lethal concentration (LC) estimation. The literature review summarizes data under four categories: animal studies, controlled human studies, community exposure, and industrial exposure. Data in these areas were critically reviewed for their relevance to lethal concentrations at LC{sub LO}, LC{sub 10} and LC{sub 50} levels that were derived in the 1984 report. In the last ten years, only one relevant animal study has been published. No new controlled human studies were found but a community exposure incident was reported. There were three new industrial/accidental exposures reported since 1984. Evaluation of new data does not change the lethal concentration estimates made in the 1984 report, but does indicate the absence of appropriate models to estimate the lethality of irritant and corrosive gases. In the last 10 years, much literature on the evaluation of major hazards has been published and suggests that such assessments are of growing political, economic and social importance. Numerous articles have been published on the acute toxicity of HF from skin contact and chronic toxicity from repeated airborne exposure. These publications offer important insights into the nature of HF toxicity. Several avenues of investigative research are suggested. (author). 55 refs., 4 tabs.

  5. Toxicity levels to humans during acute exposure to hydrogen fluoride - An update

    International Nuclear Information System (INIS)

    Halton, D.M.

    1995-09-01

    In March 1993, the Atomic Energy Control Board (AECB) commissioned and update of a 1984 review on the acute toxicity of hydrogen fluoride (HF). The study places particular emphasis on the effects of inhalation of gaseous HF and is divided into two main parts: a literature review and a lethal concentration (LC) estimation. The literature review summarizes data under four categories: animal studies, controlled human studies, community exposure, and industrial exposure. Data in these areas were critically reviewed for their relevance to lethal concentrations at LC LO , LC 10 and LC 50 levels that were derived in the 1984 report. In the last ten years, only one relevant animal study has been published. No new controlled human studies were found but a community exposure incident was reported. There were three new industrial/accidental exposures reported since 1984. Evaluation of new data does not change the lethal concentration estimates made in the 1984 report, but does indicate the absence of appropriate models to estimate the lethality of irritant and corrosive gases. In the last 10 years, much literature on the evaluation of major hazards has been published and suggests that such assessments are of growing political, economic and social importance. Numerous articles have been published on the acute toxicity of HF from skin contact and chronic toxicity from repeated airborne exposure. These publications offer important insights into the nature of HF toxicity. Several avenues of investigative research are suggested. (author). 55 refs., 4 tabs

  6. Hydrogen adsorption on palladium and palladium hydride at 1 bar

    DEFF Research Database (Denmark)

    Johansson, Martin; Skulason, Egill; Nielsen, Gunver

    2010-01-01

    strongly to Pd hydride than to Pd. The activation barrier for desorption at a H coverage of one mono layer is slightly lower on Pd hydride, whereas the activation energy for adsorption is similar on Pd and Pd hydride. It is concluded that the higher sticking probability on Pd hydride is most likely caused...

  7. Equilibrium curve determination of HF adsorption by activated carbon

    International Nuclear Information System (INIS)

    Bahrami, H.; Safdari, S. J.; Mousavian, S. M. A.

    2010-01-01

    One of the byproducts of uranium enrichment industry is hydrogen fluoride gas. Due to the toxicity and corrosivity of the molecule, it has adverse effects on the environment and the process. Therefore, it must be removed by adsorption towers. The activated carbon is one of the proposed sorbent for the adsorption. Hydrogen fluoride adsorption equilibrium curve gives important information for designing the adsorption towers. In this article, the hydrogen fluoride adsorption and adsorption factors were determined experimentally, and four different types of carbon have been used. The operating pressure in all tests was less than 30 mbar. Comparison between the obtained experimental equilibrium curves shows that the first, second and fourth types of activated carbon are suitable for the adsorption of hydrogen fluoride. The experimental data were fitted using mathematical models of Langmuir, Freundlich, Toth and Henry. The results show that Toth mathematical model is more suitable than other models. Also, the absolute error were predicted by the model of Toth for the first, second and fourth types of the activated carbon were 12.9, 16.5 and 34 percent, respectively.

  8. Analysis of oxygen and hydrogen adsorption on Nb(100) surface by scanning tunneling microscopy

    International Nuclear Information System (INIS)

    An, Bai; Wen, Mao; Fukuyama, Seiji; Yokogawa, Kiyoshi; Ichimura, Shingo; Yoshimura, Masamichi

    2006-01-01

    The surface structure of Nb(100) under the condition of cleaning, oxidation and hydrogen adsorption is observed by STM (scanning tunneling microscopy). The results obtained are followings; (1) (3 x 1)-O→(4 x 1)-O→c(2 x 2)-O→clean(1 x 1)structure was observed by atom level, and these atomic models of structures and STM images were verified by the first-principles calculations, (2) when the clean(1 x 1) structure exposed to hydrogen, dissociative adsorption of hydrogen was observed and Nb hydride cluster formed on the surface at room temperature. It was heated at about 450 - 670 K in UHV, the cluster decomposed into hydrogen and (1 x 1) structure with linear defect was formed. The c(2 x 2)-O structure by oxygen adsorption transformed into (1 x 1)-H structure with OH and Nb hydride cluster under hydrogen gas at room temperature. When it was heated in UHV at 640 K, OH desorbed from the surface and (1 x 1) structure with linear defect was generated. The surface of (3 x 1)-O structure was not changed by hydrogen. (S.Y.)

  9. A study on hydrogen adsorption behaviors of open-tip carbon nanocones

    International Nuclear Information System (INIS)

    Liao Mingliang

    2012-01-01

    Hydrogen adsorption behaviors of single-walled open-tip (tip-truncated) carbon nanocones (CNCs) with apex angles of 19.2° at temperatures of 77 and 300 K were investigated by the molecular dynamics simulations. Four nanomaterials (including three CNCs with different dimensions and a reference CNT) were analyzed to examine the hydrogen adsorption behaviors and influences of cone sharpness on the behaviors of the CNCs. Physisorption of hydrogen molecules could be observed from the distribution pattern of the hydrogen molecules adsorbed on the nanomaterials. Because of the cone geometry effect, the open-tip CNCs could have larger storage weight percentage and less desorption of hydrogen molecules (caused by the temperature growth) on their outer surfaces, as compared with those of the reference CNT. The hydrogen molecules inside the CNCs and the reference CNT, however, were noted to have similar desorption behaviors owing to the confinement effects from the structures of the nanomaterials. In addition, the sharper CNC could have higher storage weight percentage but the cone sharpness does not have evident enhancement in the average adsorption energy of the CNC. Combination of confinement and repulsion effects existing near the tip region of the CNC would be responsible for the non-enhancement feature.

  10. Separation of hydrogen isotopes via single column pressure swing adsorption

    International Nuclear Information System (INIS)

    Wong, Y.W.; Hill, F.B.

    1981-01-01

    Separation of hydrogen isotopes based on kinetic isotope effects was studied. The mixture separated was hydrogen containing a trace of tritium as HT and the hydride was vanadium monohydride. The separation was achieved using the single-column pressure swing process. Stage separation factors are larger and product cuts smaller than for a two-column pressure swing process operated in the same monohydride phase

  11. 海藻酸镧颗粒除氟研究:吸附剂物性和吸附机理%Fluoride Removal by Lanthanum Alginate Bead:Adsorbent Characterization and Adsorption Mechanism

    Institute of Scientific and Technical Information of China (English)

    霍亚坤; 丁文明; 黄霞; 徐静年; 赵梦华

    2011-01-01

    Lanthanum alginate bead is a new, highly active adsorbent. In the present study, we investigated its adsorption performance and its adsorption mechanism. The adsorption isotherm for fluoride onto lanthanum alginate bead fits the Langmuir model well, and the maximum adsorption capacity is 197.2 mg·g-1. X-ray diffraction shows the amorphous nature of lanthanum alginate bead, which allows for better accessibility to fluoride and thus better activity. Infrared spectra of lanthanum alginate bead before and after adsorption confirm its stable skeletal structure.Scanning electron microscopy shows that the dense surface structure of the adsorbent appear cracks after adsorption.The adsorption mechanism of lanthanum alginate bead is considered as an ion exchange between F- and Cl- or OH-,as verified from the adsorbent and the solution by pH effect, energy dispersive X-ray, and ion chromatography.

  12. Activity of iridium-ruthenium and iridium-rhodium adsorption catalysts in decomposition of hydrogen peroxide

    Energy Technology Data Exchange (ETDEWEB)

    Zubovich, I A; Mikhaylov, V A; Migulina, N N [Yaroslavskij Politekhnicheskij Inst. (USSR)

    1976-06-01

    Experimental data for the activities of iridium-ruthenium and iridium-rhodium adsorption catalysts in the decomposition of hydrogen peroxide are considered and the results of magnetic susceptibility measurements are presented. It is concluded that surface structures (complexes) may be formed and that micro-electronic feaures play a role in heterogeneous catalysis.

  13. Hydrogen adsorption on metal-organic frameworks (MOFs) and single-walled carbon nanotubes (SWNTs)

    Energy Technology Data Exchange (ETDEWEB)

    Poirier, E.; Chahine, R.; Benard, P.; Lafi, L.; Dorval-Douville, G.; Chandonia, P.-A. [Univ. du Quebec a Trois-Rivieres, Inst. de recherche sur l' hydrogene, Trois-Rivieres, Quebec (Canada)]. E-mail: Lyubov.Lafi@uqtr.ca

    2006-07-01

    'Full text:' In recent years, several novel carbon-based microporous materials such as single-walled carbon nanotubes (SWNTs) and metal-organic frameworks (MOFs) have been proposed as promising adsorbents for hydrogen. Hydrogen adsorption measurements on Al-, Cr- and Zn-based metal-organic frameworks (MOFs) and single-walled carbon nanotubes (SWNTs) are presented. The measurements were performed at temperatures ranging from 77 to 300K and pressures up to 50 atm using a volumetric approach. The maximum excess adsorption at 77K ranges from 2,8 to 3,9 wt % for the MOFs and from 1,5 to 2,5 wt % for the SWNTs. These values are reached at pressures below 40 atm. At room temperature and 40 atm, modest amounts of hydrogen are adsorbed (< 0,4 wt %). A Dubinin-Astakhov (DA) approach is used to investigate the measured adsorption isotherms and retrieve energetic and structural parameters. The adsorption enthalpy averaged over filling is found to be about 2,9 kJ/mol for the MOF-5 and about 3,6 - 4,2 kJ/mol for SWNTs. The uptake of hydrogen on SWNTs and MOF-5 appears to be due to physisorption and can be described, through the DA-model, by a traditional theory of micropore filling. (author)

  14. Hydrogen adsorption in the series of carbon nanostructures: Graphenes-graphene nanotubes-nanocrystallites

    Science.gov (United States)

    Soldatov, A. P.; Kirichenko, A. N.; Tat'yanin, E. V.

    2016-07-01

    A comparative analysis of hydrogen absorption capability is performed for the first time for three types of carbon nanostructures: graphenes, oriented carbon nanotubes with graphene walls (OCNTGs), and pyrocarbon nanocrystallites (PCNs) synthesized in the pores of TRUMEM ultrafiltration membranes with mean diameters ( D m) of 50 and 90 nm, using methane as the pyrolized gas. The morphology of the carbon nanostructures is studied by means of powder X-ray diffraction, X-ray photoelectron spectroscopy (XPS), Raman spectroscopy, and transmission electron microscopy (TEM). Hydrogen adsorption is investigated via thermogravimetric analysis (TGA) in combination with mass-spectrometry. It is shown that only OCNTGs can adsorb and store hydrogen, the desorption of which under atmospheric pressure occurs at a temperature of around 175°C. Hydrogen adsorption by OCNTGs is quantitatively determined and found to be about 1.5% of their mass. Applying certain assumptions, the relationship between the mass of carbon required for the formation of single-wall OCNTGs in membrane pores and the surface area of pores is established. Numerical factor Ψ = m dep/ m calc, where m dep is the actual mass of carbon deposited upon the formation of OCNTGs and mcalc is the calculated mass of carbon necessary for the formation of OCNTGs is introduced. It is found that the dependence of specific hydrogen adsorption on the magnitude of the factor has a maximum at Ψ = 1.2, and OCNTGs can adsorb and store hydrogen in the interval 0.4 to 0.6 hydrogen adsorption and its relationship to the structure of carbon nanoformations are examined.

  15. A comparative analysis of the cryo-compression and cryo-adsorption hydrogen storage methods

    Energy Technology Data Exchange (ETDEWEB)

    Petitpas, G [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Benard, P [Universite du Quebec a Trois-Rivieres (Canada); Klebanoff, L E [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Xiao, J [Universite du Quebec a Trois-Rivieres (Canada); Aceves, S M [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2014-07-01

    While conventional low-pressure LH₂ dewars have existed for decades, advanced methods of cryogenic hydrogen storage have recently been developed. These advanced methods are cryo-compression and cryo-adsorption hydrogen storage, which operate best in the temperature range 30–100 K. We present a comparative analysis of both approaches for cryogenic hydrogen storage, examining how pressure and/or sorbent materials are used to effectively increase onboard H₂ density and dormancy. We start by reviewing some basic aspects of LH₂ properties and conventional means of storing it. From there we describe the cryo-compression and cryo-adsorption hydrogen storage methods, and then explore the relationship between them, clarifying the materials science and physics of the two approaches in trying to solve the same hydrogen storage task (~5–8 kg H₂, typical of light duty vehicles). Assuming that the balance of plant and the available volume for the storage system in the vehicle are identical for both approaches, the comparison focuses on how the respective storage capacities, vessel weight and dormancy vary as a function of temperature, pressure and type of cryo-adsorption material (especially, powder MOF-5 and MIL-101). By performing a comparative analysis, we clarify the science of each approach individually, identify the regimes where the attributes of each can be maximized, elucidate the properties of these systems during refueling, and probe the possible benefits of a combined “hybrid” system with both cryo-adsorption and cryo-compression phenomena operating at the same time. In addition the relationships found between onboard H₂ capacity, pressure vessel and/or sorbent mass and dormancy as a function of rated pressure, type of sorbent material and fueling conditions are useful as general designing guidelines in future engineering efforts using these two hydrogen storage approaches.

  16. Resistance of HEPA filter separator materials to humid air--hydrogen fluoride--fluorine environments

    International Nuclear Information System (INIS)

    Weber, C.W.; Petit, G.S.; Woodfin, S.B.

    1977-01-01

    The U. S. Energy Research and Development Administration (ERDA) is interested in the development of a high-efficiency particulate air (HEPA) filter that is resistant to such corrosive reagents as hydrogen fluoride (HF) and fluorine (F 2 ) in air environments of normal relative humidity (about 50% RH). Several types of separator materials are used in the fabrication of commercial filters. The basic types of separator materials are asbestos, Kraft paper, plastic, and aluminum. At the request of the ERDA Division of Operational Safety, the different types of separator materials have been evaluated for their resistance to corrosive attack by HF and F 2 . The separator materials were dynamically tested in the 4-stage multiunit tester located in the Oak Ridge Gaseous Diffusion Plant laboratories. This is the system previously used in the evaluation of the Herty Foundation filter paper samples. Concurrent with the testing of filter media for its resistance to HF and F 2 , another component of the completed filter, the separator, was tested. All samples were exposed to a constant air flow (50% RH) of 32 liters/min, at 100 0 F, containing 900 ppM HF and 300 ppM F 2 . Exposure periods varied from 2 to 1000 h; however, the longer exposures were made only on the stronger candidates. Test results show the plastic and aluminum separator materials to be superior to the other types in resistance to HF and F 2 . The asbestos separators disintegrated after a relatively short exposure time; the Kraft paper types were the next weakest. The Clear Plastic S was the best performer of the plastics tested

  17. Study of the secondary electron energy spectrum of clean aluminium modification during oxygen adsorption, hydrogen adsorption or carbon segregation

    International Nuclear Information System (INIS)

    Pellerin, Francois

    1981-01-01

    The first part of this work is a review of both theoretical and experimental aspects of the fine structure appearing in the Secondary Electron Spectrum (SES) and in the electron energy loss spectrum. In the second part, we report the results of a study of the SES and ELS spectra of clean and gas covered aluminium. The use of very low primary electron energies (E p ≤ 30 eV) enables the detection of previously unobserved peaks in the ELS spectra of clean and oxygen covered aluminium. They are attributed to single electron excitations. Furthermore, a very large peak appears in the SES spectrum during oxygen or carbon adsorption on aluminium. It is interpreted in terms of interaction of the background electrons with the valence electrons of the surface. Molecular hydrogen adsorption is observed on Ta, Pt, Al 2 O 3 , Si. It is responsible for an ELS peak located 13 eV below the elastic peak. Furthermore, on silicon, the chemisorbed hydrogen form can be distinguished from the molecular form with the help of ELS. Finally, some examples are given of the application of these results to surface imaging. (author) [fr

  18. Dynamics of dissociative adsorption of hydrogen on Ni(100)

    International Nuclear Information System (INIS)

    Hamza, A.V.; Madix, R.J.

    1985-01-01

    Nearly monoenergetic beams of hydrogen and deuterium were used to determine dissociative sticking probabilities for H 2 and D 2 on Ni(100) at various energies. Variation of the surface temperature between 90 and 300 K had no effect on the dissociative sticking probability of H 2 at 3.6 and 5.8 kJ/mol incident beam energy, indicating a direct mechanism of dissociation. A four fold increase in the initial dissociative sticking probability for H 2 from 0.2 to 0.8 was observed by increasing the translational kinetic energy from 0.7 to 7.0 kJ/mol. The initial dissociative sticking probability for D 2 was slightly lower, increasing from 0.15 to 0.75 with increasing translational kinetic energy from 1.3 to 10.5 kJ/mol. The form of the increase with kinetic energy was explained by tunnelling through a low activation barrier, accounting as well for the high dissociation probability at low kinetic energies. The dissociative sticking probability decreased with hydrogen or deuterium adatom coverage at all energies. The decline in sticking probability with hydrogen coverage was fit to a s(theta) = s 0 (1 - a theta)/sup n/ functional form. From this relationship it was deduced that hydrogen adatoms block only single sites and that four vacant sites are needed for dissociation. The dissociative sticking probability for H 2 declined precipitously from 0.77 to 0.16 with oxygen adatom coverage from 0 to 5% of a monolayer at a translational energy of 9.6 kJ.mol. 36 references, 8 figures

  19. DFT study of the interaction between 3-nitro-1,2,4-triazole-5-one and hydrogen fluoride

    International Nuclear Information System (INIS)

    Fang Guoyong; Xu Lina; Hu Xingen; Li Xinhua

    2008-01-01

    Three fully optimized geometries of 3-nitro-1,2,4-triazol-5-one-hydrogen fluoride (NTO-HF) complexes have been obtained with density functional theory (DFT) method at the B3LYP/6-311++G** level. The intermolecular interaction energy is calculated with zero point energy (ZPE) correction and basis set superposition error (BSSE) correction. The greatest corrected intermolecular interaction of the NTO-HF complexes is -34.155 kJ/mol. Electrons in complex systems transfer from NTO to HF. Natural bond orbital (NBO) analysis is performed to reveal the origin of the interaction. The strong hydrogen bonds contribute to the interaction energies dominantly. Frequency calculations are carried out on each optimized structure, and their IR spectra are discussed. Vibrational analysis show that there are large red-shifts for H-X (X = N and F) stretching vibrational frequencies in the NTO and hydrogen fluoride complexes. The changes of thermodynamic properties from the monomer to complexes with the temperature ranging from 200 K to 1500 K have been obtained using the statistical thermodynamic method. It is found that two of three NTO-HF complexes can be produced spontaneously from NTO and HF at room temperature

  20. DFT study of the interaction between 3-nitro-1,2,4-triazole-5-one and hydrogen fluoride

    Energy Technology Data Exchange (ETDEWEB)

    Fang Guoyong [College of Chemistry and Materials Engineering, Wenzhou University, Wenzhou 325035 (China); Xu Lina [College of Chemistry and Materials Engineering, Wenzhou University, Wenzhou 325035 (China)], E-mail: ahxulina@sohu.com; Hu Xingen; Li Xinhua [College of Chemistry and Materials Engineering, Wenzhou University, Wenzhou 325035 (China)

    2008-12-15

    Three fully optimized geometries of 3-nitro-1,2,4-triazol-5-one-hydrogen fluoride (NTO-HF) complexes have been obtained with density functional theory (DFT) method at the B3LYP/6-311++G** level. The intermolecular interaction energy is calculated with zero point energy (ZPE) correction and basis set superposition error (BSSE) correction. The greatest corrected intermolecular interaction of the NTO-HF complexes is -34.155 kJ/mol. Electrons in complex systems transfer from NTO to HF. Natural bond orbital (NBO) analysis is performed to reveal the origin of the interaction. The strong hydrogen bonds contribute to the interaction energies dominantly. Frequency calculations are carried out on each optimized structure, and their IR spectra are discussed. Vibrational analysis show that there are large red-shifts for H-X (X = N and F) stretching vibrational frequencies in the NTO and hydrogen fluoride complexes. The changes of thermodynamic properties from the monomer to complexes with the temperature ranging from 200 K to 1500 K have been obtained using the statistical thermodynamic method. It is found that two of three NTO-HF complexes can be produced spontaneously from NTO and HF at room temperature.

  1. Adsorption of hydrogen sulfide gas on several synthetic zeolites

    Energy Technology Data Exchange (ETDEWEB)

    Fukui, T; Ise, Y; Boki, K; Tanada, S

    1974-07-01

    Ten kinds of synthetic zeolites were tested to determine the most suitable adsorbent for H/sub 2/S gas removal by a dry process. Specific surface area with argon gas and H/sub 2/S gas, surface pH, and thermodynamic data of adsorbents were measured. The amounts of H/sub 2/S gas adsorbed on synthetic zeolite adsorbents were affected in terms of the pore sizes of the adsorbents rather than the surface pH and the thermodynamic factors. The adsorbents No. 3, No. 7, and No. 8 showed higher adsorption of H/sub 2/S than the other adsorbents and were the most suitable for practical purposes.

  2. Friedel-Crafts reaction of benzyl fluorides: selective activation of C-F bonds as enabled by hydrogen bonding.

    Science.gov (United States)

    Champagne, Pier Alexandre; Benhassine, Yasmine; Desroches, Justine; Paquin, Jean-François

    2014-12-08

    A Friedel-Crafts benzylation of arenes with benzyl fluorides has been developed. The reaction produces 1,1-diaryl alkanes in good yield under mild conditions without the need for a transition metal or a strong Lewis acid. A mechanism involving activation of the C-F bond through hydrogen bonding is proposed. This mode of activation enables the selective reaction of benzylic C-F bonds in the presence of other benzylic leaving groups. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. High-temperature adsorption layers based on fluoridated polyimide and diatomite carrier

    Science.gov (United States)

    Yakovleva, E. Yu.; Shundrina, I. K.; Gerasimov, E. Yu.

    2017-09-01

    A way of preparing separation layers by the pyrolysis of fluorinated polyimide obtained from 2,4,6-trimethyl- m-phenylenediamine (2,4,6-TM mPDA) and 2,2-bis(3',4'-dicarboxyphenyl)hexafluoropropane (6FDA) applied onto a diatomite carrier is described. Thermogravimetry, elemental analysis, low-temperature nitrogen adsorption, high-resolution electron microscopy, and gas chromatography are used to study changes in the texture and chromatographic characteristics of these layers. It is found that changes in the structure and the effectivity of separation characteristic of the layers depend on the temperature of pyrolysis, which ranges from 250 to 1100°C. It is established that a layer of separation is formed at 250-350°C, and the order of elution of hydrocarbons is similar to their chromatographic behavior on such stationary phases as OV-101. Layers of amorphous carbon formed on the surfaces of individual particles on a diatomite surface at 500-700°C. These layers ensure highly stable and selective separation of permanent gases and hydrocarbons when they are present together.

  4. Effects of hydrogen fluoride fumigation of bean plants on the growth, development, and reproduction of the Mexican bean beetle

    Energy Technology Data Exchange (ETDEWEB)

    Weinstein, L H; McCune, D C; Mancini, J F; van Leuken, P

    1973-01-01

    The growth and behavior of Mexican bean beetle populations on control and hydrogen fluoride-fumigated bean plants (P. vulgaris L.) were investigated to assess the effects of such fumigation on beetle growth, development and reproduction. Beetles that were cultured on HF-fumigated plants were generally lighter than controls, although the occurrence and magnitude of this effect depended upon stage of development, age, and sex of the adult beetle and the number of generations of culture on HF-fumigated plants. A consistently decreased mass of larvae cultured on HF-fumigated tissue pupated and enclosed three to six days later than controls, and the adults commenced reproductive activity with the same lag in time. Beetles cultured on the fumigated plants also contained greater amounts of fluoride than the controls, and the fluoride content of females was greater than that of males on both HF-fumigated and control plants. Beetles raised on fumigated plants laid fewer egg masses and fewer eggs per mass, although when the first generation was repeated at a later date there was no significant effect. Feeding activity was reduced in both larval and adult stages in beetles cultured on the fumigated plants, and adults showed less flight activity than controls. A difference in color of the elytra was also noted; beetles on HF-fumigated plants were paler than controls.

  5. A study on hydrogen storage through adsorption in nano-structured carbons

    International Nuclear Information System (INIS)

    Langohr, D.

    2004-10-01

    The aim of this work is to build and calibrate an experimental set-up for the testing of the materials, to produce some carbon materials in large amounts and characterise them, and finally, to test these materials in their ability to store hydrogen. This will help in establishing a link between the hydrogen storage capacities of the carbons and their nano-structure. The script is divided into four chapters. The first chapter will deal with the literature review on the thematic of hydrogen storage through adsorption in the carbon materials, while the second chapter will present the experimental set-up elaborated in the laboratory. The third chapter explains the processes used to produce the two families of carbon materials and finally, the last chapter presents the structural characterisation of the samples as well as the experimental results of hydrogen storage on the materials elaborated. (author)

  6. Design and synthesis of vanadium hydrazide gels for Kubas-type hydrogen adsorption: a new class of hydrogen storage materials.

    Science.gov (United States)

    Hoang, Tuan K A; Webb, Michael I; Mai, Hung V; Hamaed, Ahmad; Walsby, Charles J; Trudeau, Michel; Antonelli, David M

    2010-08-25

    In this paper we demonstrate that the Kubas interaction, a nondissociative form of weak hydrogen chemisorption with binding enthalpies in the ideal 20-30 kJ/mol range for room-temperature hydrogen storage, can be exploited in the design of a new class of hydrogen storage materials which avoid the shortcomings of hydrides and physisorpion materials. This was accomplished through the synthesis of novel vanadium hydrazide gels that use low-coordinate V centers as the principal Kubas H(2) binding sites with only a negligible contribution from physisorption. Materials were synthesized at vanadium-to-hydrazine ratios of 4:3, 1:1, 1:1.5, and 1:2 and characterized by X-ray powder diffraction, X-ray photoelectron spectroscopy, nitrogen adsorption, elemental analysis, infrared spectroscopy, and electron paramagnetic resonance spectroscopy. The material with the highest capacity possesses an excess reversible storage of 4.04 wt % at 77 K and 85 bar, corresponding to a true volumetric adsorption of 80 kg H(2)/m(3) and an excess volumetric adsorption of 60.01 kg/m(3). These values are in the range of the ultimate U.S. Department of Energy goal for volumetric density (70 kg/m(3)) as well as the best physisorption material studied to date (49 kg H(2)/m(3) for MOF-177). This material also displays a surprisingly high volumetric density of 23.2 kg H(2)/m(3) at room temperature and 85 bar--roughly 3 times higher than that of compressed gas and approaching the DOE 2010 goal of 28 kg H(2)/m(3). These materials possess linear isotherms and enthalpies that rise on coverage and have little or no kinetic barrier to adsorption or desorption. In a practical system these materials would use pressure instead of temperature as a toggle and can thus be used in compressed gas tanks, currently employed in many hydrogen test vehicles, to dramatically increase the amount of hydrogen stored and therefore the range of any vehicle.

  7. Structural and electronic properties of hydrogen adsorptions on BC3 sheet and graphene: a comparative study

    International Nuclear Information System (INIS)

    Chuang, Feng-Chuan; Huang, Zhi-Quan; Lin, Wen-Huan; Albao, Marvin A; Su, Wan-Sheng

    2011-01-01

    We have systematically investigated the effect of hydrogen adsorption on a single BC 3 sheet as well as graphene using first-principles calculations. Specifically, a comparative study of the energetically favorable atomic configurations for both H-adsorbed BC 3 sheets and graphene at different hydrogen concentrations ranging from 1/32 to 4/32 ML and 1/8 to 1 ML was undertaken. The preferred hydrogen arrangement on the single BC 3 sheet and graphene was found to have the same property as that of the adsorbed H atoms on the neighboring C atoms on the opposite sides of the sheet. Moreover, at low coverage of H, the pattern of hydrogen adsorption on the BC 3 shows a proclivity toward formation on the same ring, contrasting their behavior on graphene where they tend to form the elongated zigzag chains instead. Lastly, both the hydrogenated BC 3 sheet and graphene exhibit alternation of semiconducting and metallic properties as the H concentration is increased. These results suggest the possibility of manipulating the bandgaps in a single BC 3 sheet and graphene by controlling the H concentrations on the BC 3 sheet and graphene.

  8. Hydrogen adsorption properties of polymer-derived nanoporous SiC{sub x} fibers

    Energy Technology Data Exchange (ETDEWEB)

    Chu, Zengyong; He, Rongan; Zhang, Xiaobin; Cheng, Haifeng; Li, Xiaodong; Wang, Yingde [State Key Laboratory of Advanced Ceramic Fibers and Composites, National University of Defense Technology, Changsha 410073 (China)

    2010-04-15

    In an effort to prepare new hydrogen storage materials, we successfully obtained three types of polymer-derived nanoporous SiC{sub x} (x = 5-7) fibers, whose specific surface areas (SSAs) are larger than 580 m{sup 2}/g. Their hydrogen adsorption properties were studied with a comparison of multi-walled carbon nanotubes (MWCNTs). The results reveal that micropores play a predominant role in hydrogen adsorptions at 77 K and at pressures below 0.5 MPa, and mesopores begin to take greater effect when the pressure increases beyond 0.5 MPa. The maximum hydrogen storage capacity (HSC), 0.33 wt% at 302 K and 4 MPa, was achieved for SiC{sub x}-KN fibers with SSA of 990 m{sup 2}/g, while the HSC of the MWCNTs is 0.09 wt% at the same conditions. For these new materials, this work demonstrates that small pore size, large micropore volume and large SSA are all beneficial for the high hydrogen uptake. It can also be deduced from the work that the HSC of the SiC{sub x} fibers could be further increased if the crystallinity and the composition are better controlled. (author)

  9. Effect of Hydrogen Adsorption on the Stone-Wales Transformation in Small-Diameter Carbon Nanotubes

    Science.gov (United States)

    Openov, L. A.; Podlivaev, A. I.

    2018-04-01

    The effect of hydrogenation of (4, 0) and (3, 0) carbon nanotubes on the Stone-Wales transformation is studied in the framework of the nonorthogonal tight-binding model. It is shown that the atomic hydrogen adsorption can lead to both a decrease and an increase in the barriers for the direct and inverse transformations depending on the orientation of a rotating C-C bond with respect to the nanotube axis. The characteristic times of formation and annealing the Stone-Wales defects have been estimated. The Young's moduli have been calculated.

  10. Multiscale Study of Hydrogen Adsorption on Six Designed Covalent Organic Frameworks Based on Porphyrazine, Cyclobutane and Scandium

    International Nuclear Information System (INIS)

    Li Le-Le; Gao Teng-Fei; Zhang Ruan-Yu; Zhang Hong

    2014-01-01

    The first-principles method of hydrogen adsorption is used to investigate the interaction of H_2 with the scandium-porphyrazine (Sc-Pz) and porphyrazine (Pz) clusters. The result shows that the interaction of H_2 with Sc-Pz is stronger than with Pz. Then grand canonical Monte Carlo simulations are used to investigate hydrogen adsorption in six designed covalent organic frameworks (COFs), which are designed based on porphyrazine, cyclobutane and scandium. When the pressure is from 0.1 to 100 bar and the temperature is 298 K and 77 K, the hydrogen adsorption capacities of the six COFs are calculated. We further study the importance of Sc and fillers to improve the H_2 uptake in the modified COFs by analyzing the isosteric heat of hydrogen adsorption. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  11. Nanotube Adsorption for the Capture and Re-liquefaction of Hydrogen Biol-Off During Tanker Transfer Operations, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — This proposal discloses an innovative, economically feasible technique to capture and re-liquefy the hydrogen boil-off by using carbon nanotube adsorption prior to...

  12. FTIR spectroscopic and computational studies on hydrogen adsorption on the zeolite Li-FER

    Czech Academy of Sciences Publication Activity Database

    Nachtigall, Petr; Garrone, E.; Palomino, G. T.; Delgado, M. R.; Nachtigallová, Dana; Areán, C. O.

    2006-01-01

    Roč. 8, č. 19 (2006), s. 2286-2292 ISSN 1463-9076 R&D Projects: GA MŠk(CZ) LC512; GA ČR(CZ) GA203/06/0324 Grant - others:UIB(ES) MAT-2005-05350; MIUR(IT) FISR2004 Institutional research plan: CEZ:AV0Z40550506 Keywords : adsorption * hydrogen storage * spectroscopy Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.892, year: 2006

  13. Hydrogen adsorption-mediated synthesis of concave Pt nanocubes and their enhanced electrocatalytic activity

    Science.gov (United States)

    Lu, Bang-An; Du, Jia-Huan; Sheng, Tian; Tian, Na; Xiao, Jing; Liu, Li; Xu, Bin-Bin; Zhou, Zhi-You; Sun, Shi-Gang

    2016-06-01

    Concave nanocubes are enclosed by high-index facets and have negative curvature; they are expected to have enhanced reactivity, as compared to nanocubes with flat surfaces. Herein, we propose and demonstrate a new strategy for the synthesis of concave Pt nanocubes with {hk0} high-index facets, by using a hydrogen adsorption-mediated electrochemical square-wave potential method. It was found that Pt atoms prefer to deposit on edge sites rather than terrace sites on Pt surfaces with intensive hydrogen adsorption, resulting in the formation of concave structures. The as-prepared concave Pt nanocubes exhibit enhanced catalytic activity and stability towards oxidation of ethanol and formic acid in acidic solutions, compared to commercial Pt/C catalysts.Concave nanocubes are enclosed by high-index facets and have negative curvature; they are expected to have enhanced reactivity, as compared to nanocubes with flat surfaces. Herein, we propose and demonstrate a new strategy for the synthesis of concave Pt nanocubes with {hk0} high-index facets, by using a hydrogen adsorption-mediated electrochemical square-wave potential method. It was found that Pt atoms prefer to deposit on edge sites rather than terrace sites on Pt surfaces with intensive hydrogen adsorption, resulting in the formation of concave structures. The as-prepared concave Pt nanocubes exhibit enhanced catalytic activity and stability towards oxidation of ethanol and formic acid in acidic solutions, compared to commercial Pt/C catalysts. Electronic supplementary information (ESI) available: Details of DFT calculation, SEM images of concave Pt nanocubes, mass activity and stability characterization of the catalysts. See DOI: 10.1039/c6nr02349e

  14. Strain effect on the adsorption, diffusion, and molecular dissociation of hydrogen on Mg (0001) surface

    Energy Technology Data Exchange (ETDEWEB)

    Lei, Huaping; Wang, Caizhuang; Yao, Yongxin; Hupalo, Myron [Ames Laboratory, USDOE, Ames, Iowa 50011 (United States); Wang, Yangang [Ames Laboratory, USDOE, Ames, Iowa 50011 (United States); Supercomputing Center of Computer Network Information Center, CAS, Beijing 100190 (China); McDougall, Dan; Tringides, Michael; Ho, Kaiming [Ames Laboratory, USDOE, Ames, Iowa 50011 (United States); Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011 (United States)

    2013-12-14

    The adsorption, diffusion, and molecular dissociation of hydrogen on the biaxially strained Mg (0001) surface have been systematically investigated by the first principle calculations based on density functional theory. When the strain changes from the compressive to tensile state, the adsorption energy of H atom linearly increases while its diffusion barrier linearly decreases oppositely. The dissociation barrier of H{sub 2} molecule linearly reduces in the tensile strain region. Through the chemical bonding analysis including the charge density difference, the projected density of states and the Mulliken population, the mechanism of the strain effect on the adsorption of H atom and the dissociation of H{sub 2} molecule has been elucidated by an s-p charge transfer model. With the reduction of the orbital overlap between the surface Mg atoms upon the lattice expansion, the charge transfers from p to s states of Mg atoms, which enhances the hybridization of H s and Mg s orbitals. Therefore, the bonding interaction of H with Mg surface is strengthened and then the atomic diffusion and molecular dissociation barriers of hydrogen decrease accordingly. Our works will be helpful to understand and to estimate the influence of the lattice deformation on the performance of Mg-containing hydrogen storage materials.

  15. Hydrogen adsorption and desorption with 3D silicon nanotube-network and film-network structures: Monte Carlo simulations

    International Nuclear Information System (INIS)

    Li, Ming; Kang, Zhan; Huang, Xiaobo

    2015-01-01

    Hydrogen is clean, sustainable, and renewable, thus is viewed as promising energy carrier. However, its industrial utilization is greatly hampered by the lack of effective hydrogen storage and release method. Carbon nanotubes (CNTs) were viewed as one of the potential hydrogen containers, but it has been proved that pure CNTs cannot attain the desired target capacity of hydrogen storage. In this paper, we present a numerical study on the material-driven and structure-driven hydrogen adsorption of 3D silicon networks and propose a deformation-driven hydrogen desorption approach based on molecular simulations. Two types of 3D nanostructures, silicon nanotube-network (Si-NN) and silicon film-network (Si-FN), are first investigated in terms of hydrogen adsorption and desorption capacity with grand canonical Monte Carlo simulations. It is revealed that the hydrogen storage capacity is determined by the lithium doping ratio and geometrical parameters, and the maximum hydrogen uptake can be achieved by a 3D nanostructure with optimal configuration and doping ratio obtained through design optimization technique. For hydrogen desorption, a mechanical-deformation-driven-hydrogen-release approach is proposed. Compared with temperature/pressure change-induced hydrogen desorption method, the proposed approach is so effective that nearly complete hydrogen desorption can be achieved by Si-FN nanostructures under sufficient compression but without structural failure observed. The approach is also reversible since the mechanical deformation in Si-FN nanostructures can be elastically recovered, which suggests a good reusability. This study may shed light on the mechanism of hydrogen adsorption and desorption and thus provide useful guidance toward engineering design of microstructural hydrogen (or other gas) adsorption materials

  16. Adsorption and desorption of hydrogen and carbon monoxide were studied on alumina-supported iridium catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Etherton, B.P.

    1980-01-01

    The adsorption and desorption of hydrogen and carbon monoxide were studied on alumina-supported iridium catalysts which were examined by a scanning transmission electron microscope (STEM). The metal particle size and number of particles per area of catalyst increased with increasing metal loading. The particles were approx. 10 A. in diameter, cubo-octahedral shaped, and approx. 80-90% disperse. The STEM electron beam caused negligible damage to the samples. Hydrogen adsorption measurements showed that the hydrogen-iridium atom ratio was 1.2:1-1.3:1 and increased with decreasing metal loading. Temperature-programed desorption showed four types of adsorbed hydrogen desorbing at -90/sup 0/C (I), 15/sup 0/C (IV), 115/sup 0/C (II), and 245/sup 0/C (III). Types II and IV desorb from single atom sites and Types I and III from multiple atom sites. Type I is in rapid equilibrium with the gas phase. All desorption processes appear to be first order. Carbon monoxide adsorbed nondissociatively at 25/sup 0/C with approx. 0.7:1 CO/Ir atom ratio. It adsorbed primarily in linear forms at low coverage, but a bridged form appeared at high coverage.

  17. Hydrogen adsorption in HKUST-1: a combined inelastic neutron scattering and first-principles study

    International Nuclear Information System (INIS)

    Brown, Craig M; Liu Yun; Yildirim, Taner; Peterson, Vanessa K; Kepert, Cameron J

    2009-01-01

    Hydrogen adsorption in high surface area nanoporous coordination polymers has attracted a great deal of interest in recent years due to the potential applications in energy storage. Here we present combined inelastic neutron scattering measurements and detailed first-principles calculations aimed at unraveling the nature of hydrogen adsorption in HKUST-1 (Cu 3 (1,3,5-benzenetricarboxylate) 2 ), a metal-organic framework (MOF) with unsaturated metal centers. We reveal that, in this system, the major contribution to the overall binding comes from the classical Coulomb interaction which is not screened due to the open metal site; this explains the relatively high binding energies and short H 2 -metal distances observed in MOFs with exposed metal sites as compared to traditional ones. Despite the short distances, there is no indication of an elongation of the H-H bond for the bound H 2 molecule at the metal site. We find that both the phonon and rotational energy levels of the hydrogen molecule are closely similar, making the interpretation of the inelastic neutron scattering data difficult. Finally, we show that the orientation of H 2 has a surprisingly large effect on the binding potential, reducing the classical binding energy by almost 30%. The implication of these results for the development of MOF materials for better hydrogen storage is discussed.

  18. Hydrogen adsorption in HKUST-1: a combined inelastic neutron scattering and first-principles study

    Energy Technology Data Exchange (ETDEWEB)

    Brown, Craig M; Liu Yun; Yildirim, Taner [National Institute of Standards and Technology Center for Neutron Research, 100 Bureau Drive, MS 6102 (United States); Peterson, Vanessa K [Bragg Institute, Australian Nuclear Science and Technology Organisation, Menai, NSW 2234 (Australia); Kepert, Cameron J [School of Chemistry, The University of Sydney, NSW 2006 (Australia)], E-mail: craig.brown@nist.gov

    2009-05-20

    Hydrogen adsorption in high surface area nanoporous coordination polymers has attracted a great deal of interest in recent years due to the potential applications in energy storage. Here we present combined inelastic neutron scattering measurements and detailed first-principles calculations aimed at unraveling the nature of hydrogen adsorption in HKUST-1 (Cu{sub 3}(1,3,5-benzenetricarboxylate){sub 2}), a metal-organic framework (MOF) with unsaturated metal centers. We reveal that, in this system, the major contribution to the overall binding comes from the classical Coulomb interaction which is not screened due to the open metal site; this explains the relatively high binding energies and short H{sub 2}-metal distances observed in MOFs with exposed metal sites as compared to traditional ones. Despite the short distances, there is no indication of an elongation of the H-H bond for the bound H{sub 2} molecule at the metal site. We find that both the phonon and rotational energy levels of the hydrogen molecule are closely similar, making the interpretation of the inelastic neutron scattering data difficult. Finally, we show that the orientation of H{sub 2} has a surprisingly large effect on the binding potential, reducing the classical binding energy by almost 30%. The implication of these results for the development of MOF materials for better hydrogen storage is discussed.

  19. Hydrogen adsorption in HKUST-1: a combined inelastic neutron scattering and first-principles study

    Science.gov (United States)

    Brown, Craig M.; Liu, Yun; Yildirim, Taner; Peterson, Vanessa K.; Kepert, Cameron J.

    2009-05-01

    Hydrogen adsorption in high surface area nanoporous coordination polymers has attracted a great deal of interest in recent years due to the potential applications in energy storage. Here we present combined inelastic neutron scattering measurements and detailed first-principles calculations aimed at unraveling the nature of hydrogen adsorption in HKUST-1 (Cu3(1,3,5-benzenetricarboxylate)2), a metal-organic framework (MOF) with unsaturated metal centers. We reveal that, in this system, the major contribution to the overall binding comes from the classical Coulomb interaction which is not screened due to the open metal site; this explains the relatively high binding energies and short H2-metal distances observed in MOFs with exposed metal sites as compared to traditional ones. Despite the short distances, there is no indication of an elongation of the H-H bond for the bound H2 molecule at the metal site. We find that both the phonon and rotational energy levels of the hydrogen molecule are closely similar, making the interpretation of the inelastic neutron scattering data difficult. Finally, we show that the orientation of H2 has a surprisingly large effect on the binding potential, reducing the classical binding energy by almost 30%. The implication of these results for the development of MOF materials for better hydrogen storage is discussed.

  20. Theoretical study of hydrogen adsorption of graphene and carbon nanotubes decorated with palladium

    International Nuclear Information System (INIS)

    Lopez Corral, Ignacio; German, Estefania; Volpe, Maria A; Brizuela, Graciela; Juan, Alfredo

    2008-01-01

    Since their discovery in 1991, carbon nanotubes (CNT) have awakened great interest in materials science thanks to their extraordinary structural, electronic and mechanical properties which facilitate their application in many different areas. One of the most promising applications is the possibility of using CNT to store hydrogen for use in small scale fuel cells. Unfortunately, experimental studies performed some years ago have often led to controversial conclusions, causing a continuing debate that has still not been resolved. The most recent work suggests that the storage of hydrogen for practical purposes can be achieved with CNT decorated with transition metals, for example Pd. In this context, theoretical modeling methods have to be used for a detailed understanding of the influence and scope of this type of modification in the interaction of the nanotubes with atomic or molecular hydrogen. This work studied hydrogen adsorption in single-walled carbon nanotubes (SWCNT) doped with Pd atoms, using density functional theory (DFT) and semi-empirical methods. As a preliminary approximation to the system a graphene sheet was used, modeled with a 190 atom cluster of C in a hexagonal arrangement, on which a single Pd atom was placed in adsorption sites. Then C 190 clusters were used to simulate two different types of SWCNT: the zigzag SWCNT of quirality (10.0) and the armchair SWCNT of quirality (5.5), both decorated similarly on the graphene. Geometric optimization procedures for the system's different components were carried out with these models, and then the changes produced during the adsorption process in the electronic occupation of atomic orbitals and unions, for which crystal orbital overlap population (COOP) curves and overlap population (OP) values were evaluated. The results obtained with the graphene and nanotube approximations are in agreement and show that the SWCNT modified with Pd have more capacity to trap hydrogen than the non doped SWCNT. The

  1. Adsorption of cadmium ions on nickel surface skeleton catalysts and its effect on reaction of cathodic hydrogen evolution

    International Nuclear Information System (INIS)

    Korovin, N.V.; Udris, E.Ya.; Savel'eva, O.N.

    1986-01-01

    Cadmium adsorption from different concentration CdSO 4 solutions on nickel surface skeleton catalysts (Ni ssc ) is studied by recording of polarization and potentiodynamic curves using electron microscopy and X-ray spectrometry. Main regularities of cadmium adsorption on Ni ssc are shown to be similar to those on smooth and skeleton nickel. A conclusion is drawn that increase of catalytic activity in reaction of cathodic hydrogen evolution from alkali solutions of Ni ssc base electrodes after their treatment in solutions containing Cd 2+ ions is due to irreversible desorption of strongly and averagely bound hydrogen from electrode surface at cadmium adsorption on them

  2. Adsorption and diffusion characteristics of lithium on hydrogenated α- and β-silicene.

    Science.gov (United States)

    Iyikanat, Fadil; Kandemir, Ali; Bacaksiz, Cihan; Sahin, Hasan

    2017-01-01

    Using first-principles density functional theory calculations, we investigate adsorption properties and the diffusion mechanism of a Li atom on hydrogenated single-layer α- and β-silicene on a Ag(111) surface. It is found that a Li atom binds strongly on the surfaces of both α- and β-silicene, and it forms an ionic bond through the transfer of charge from the adsorbed atom to the surface. The binding energies of a Li atom on these surfaces are very similar. However, the diffusion barrier of a Li atom on H-α-Si is much higher than that on H-β-Si. The energy surface calculations show that a Li atom does not prefer to bind in the vicinity of the hydrogenated upper-Si atoms. Strong interaction between Li atoms and hydrogenated silicene phases and low diffusion barriers show that α- and β-silicene are promising platforms for Li-storage applications.

  3. Adsorption and diffusion characteristics of lithium on hydrogenated α- and β-silicene

    Directory of Open Access Journals (Sweden)

    Fadil Iyikanat

    2017-08-01

    Full Text Available Using first-principles density functional theory calculations, we investigate adsorption properties and the diffusion mechanism of a Li atom on hydrogenated single-layer α- and β-silicene on a Ag(111 surface. It is found that a Li atom binds strongly on the surfaces of both α- and β-silicene, and it forms an ionic bond through the transfer of charge from the adsorbed atom to the surface. The binding energies of a Li atom on these surfaces are very similar. However, the diffusion barrier of a Li atom on H-α-Si is much higher than that on H-β-Si. The energy surface calculations show that a Li atom does not prefer to bind in the vicinity of the hydrogenated upper-Si atoms. Strong interaction between Li atoms and hydrogenated silicene phases and low diffusion barriers show that α- and β-silicene are promising platforms for Li-storage applications.

  4. Monte-Carlo Simulation of Hydrogen Adsorption in Single-Wall Carbon Nano-Cones

    Directory of Open Access Journals (Sweden)

    Zohreh Ahadi

    2011-01-01

    Full Text Available The properties of hydrogen adsorption in single-walled carbon nano-cones are investigated in detail by Monte Carlo simulations. A great deal of our computational results show that the hydrogen storage capacity in single-walled carbon nano-cones is slightly smaller than the capacity of single-walled carbon nanotubes at any time at the same conditions. This indicates that the hydrogen storage capacity of single-walled carbon nano-cones is related to angles of carbon nano-cones. It seems that these type of nanotubes could not exceed the 2010 goal of 6 wt%, which is presented by the U.S. Department of Energy. In addition, these results are discussed in theory.

  5. A Biomimetic Approach to New Adsorptive Hydrogen Storage Metal-Organic Frameworks

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Hongcai J [Texas A& M University

    2015-08-12

    In the past decades, there has been an escalation of interest in the study of MOFs due to their fascinating structures and intriguing application potentials. Their exceptionally high surface areas, uniform yet tunable pore sizes, and well-defined adsorbate-MOF interaction sites make them suitable for hydrogen storage. Various strategies to increase the hydrogen capacity of MOFs, such as constructing pore sizes comparable to hydrogen molecules, increasing surface area and pore volume, utilizing catenation, and introducing coordinatively unsaturated metal centers (UMCs) have been widely explored to increase the hydrogen uptake of the MOFs. MOFs with hydrogen uptake approaching the DOE gravimetric storage goal under reasonable pressure but cryo- temperature (typically 77 K) were achieved. However, the weak interaction between hydrogen molecules and MOFs has been the major hurdle limiting the hydrogen uptake of MOFs at ambient temperature. Along the road, we have realized both high surface area and strong interaction between framework and hydrogen are equally essential for porous materials to be practically applicable in Hydrogen storage. Increasing the isosteric heats of adsorption for hydrogen through the introduction of active centers into the framework could have great potential on rendering the framework with strong interaction toward hydrogen. Approaches on increasing the surface areas and improving hydrogen affinity by optimizing size and structure of the pores and the alignment of active centers around the pores in frameworks have been pursued, for example: (a) the introduction of coordinatively UMC (represents a metal center missing multiple ligands) with potential capability of multiple dihydrogen-binding (Kubas type, non-dissociative) per UMC, (b) the design and synthesis of proton-rich MOFs in which a + H3 binds dihydrogen just like a metal ion does, and (c) the preparation of MOFs and PPNs with well aligned internal electric fields. We believe the

  6. High coverage hydrogen adsorption on the Fe{sub 3}O{sub 4}(1 1 0) surface

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Xiaohu, E-mail: yuxiaohu950203@126.com [College of Physics and Electrical Engineering, Anyang Normal University, Anyang, Henan 455000 (China); State Key laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan, Shanxi 030001 (China); Zhang, Xuemei [College of Physics and Electrical Engineering, Anyang Normal University, Anyang, Henan 455000 (China); Wang, Shengguang [State Key laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan, Shanxi 030001 (China); Synfuels China Co., Ltd., Huairou, Beijing 101407 (China)

    2015-10-30

    Graphical abstract: - Highlights: • Hydrogen adsorption on the A and B termination layers of the Fe{sub 3}O{sub 4}(1 1 0) surface at different coverage has been studied by DFT + U method. • The adsorption of hydrogen prefers surface oxygen atoms on both Fe{sub 3}O{sub 4}(1 1 0) surface layers. • The more stable A layer has stronger adsorption energy than the less stable B layer. • The saturation coverage has two dissociatively adsorbed H{sub 2} on the A layer, and one dissociatively adsorbed H{sub 2} on the B layer. - Abstract: Hydrogen adsorption on the A and B termination layers of the Fe{sub 3}O{sub 4}(1 1 0) surface at different coverage has been systematically studied by density functional theory calculations including an on-site Hubbard term (GGA + U). The adsorption of hydrogen prefers surface oxygen atoms on both layers. The more stable A layer has stronger adsorption energy than the less stable B layer. The saturation coverage has two dissociatively adsorbed H{sub 2} on the A layer, and one dissociatively adsorbed H{sub 2} on the B layer. The adsorption mechanism has been analyzed on the basis of projected density of states (PDOS).

  7. Molecular adsorption of hydrogen peroxide on N- and Fe-doped titania nanoclusters

    Energy Technology Data Exchange (ETDEWEB)

    Mohajeri, Afshan, E-mail: amohajeri@shirazu.ac.ir; Dashti, Nasimeh Lari

    2017-06-15

    Highlights: • The stability and electronic properties of N/Fe-doped (TiO{sub 2}){sub n} clusters with n = 5,6 were studied. • The adsorption H{sub 2}O{sub 2} on the surface of doped clusters has been investigated. • This is the first report of H{sub 2}O{sub 2} adsorption onto the (TiO{sub 2}){sub n} cluster in the presence of metal and non-metal dopants. • The effect of N and Fe dopants on interaction strength was studied. - Abstract: Titanium dioxide (titania) nanoparticles have been extensively investigated for photocatalytic applications such as the decomposition and adsorption of pollutant and undesirable compound in air and waste water. In this context, the present article reports the molecular adsorption of hydrogen peroxide on the surface of doped titania clusters. Density functional theory calculations were performed to investigate the structures and electronic properties of two nanoscale (TiO{sub 2}){sub n} clusters (n = 5,6) modified by nitrogen and iron dopants. The relative stability of all possible N-doped and Fe-doped isomers has been compared with each other and with the parent cluster. It was found that the Fe-doped clusters are in general more stable than the N-doped counterparts. Moreover, after N/Fe doping an enhanced in the magnetization of the clusters is observed. In the second part, we have investigated different modes of H{sub 2}O{sub 2} adsorption on the lowest-energy isomers of doped clusters. In almost all the cases, the adsorptions on the doped clusters are found to be less exothermic than on the corresponding undoped parent cluster. Our results highlight the essential role of charge transfer into the interaction between H{sub 2}O{sub 2} and doped (TiO{sub 2}){sub n} clusters, especially for Fe-doped clusters.

  8. Cryogenic adsorption of low-concentration hydrogen on charcoal, 5A molecular sieve, sodalite, ZSM-5 and Wessalith DAY

    International Nuclear Information System (INIS)

    Willms, R.S.

    1993-01-01

    The separation of low-concentration hydrogen isotopes from helium is a processing step that is required for ceramic lithium breeding blanket processing. Cryogenic adsorption is one method of effecting this separation. In this study live adsorbents were considered for this purpose: charcoal, 5A molecular sieve, UOP S-115, ZSM-5 and Wessalith DAY. The first two adsorbents exhibit good equilibrium loadings and are shown to be quite effective at adsorbing low-concentration hydrogen isotopes. The latter three adsorbents display considerably lower equilibrium loadings. This study concludes that by using either charcoal or 5A molecular sieve, cryogenic adsorption would be an effective means of separating hydrogen isotopes from helium

  9. Effect on hydrogen adsorption due to a lonely or a pair of carbon vacancies on the graphene layer

    International Nuclear Information System (INIS)

    Arellano, J S

    2017-01-01

    The influence on the hydrogen molecule adsorption on a pristine and a defective graphene layer is compared. The different lengths for the C-C bonds on the graphene layer with one vacancy are visualized and compared respect to pristine graphene. The energy of formation of one vacancy is calculated and a comparison of the binding energy for the hydrogen molecule is presented when the molecule is adsorbed on pristine graphene or on the defective graphene layer. The adsorption is studied for a single vacancy and at least for two different pairs of carbon vacancies. The qualitative general result, and contrary to the expected effect of the carbon vacancies on the hydrogen adsorption is that the rearrangement of the carbon atoms on the defective graphene layer allows only a relatively small increase in the magnitude of the binding energy for the hydrogen molecule. (paper)

  10. Hydrogen Adsorption in Flame Synthesized and Lithium Intercalated Carbon Nanofibers--A Comparative Study.

    Science.gov (United States)

    Dhand, Vivek; Prasad, J Sarada; Rao, Venkateswer M; Kalluri, Sujith; Jain, Pawan Kumar; Sreedhar, B

    2015-01-01

    Carbon nanofibers (CNF) have been synthesized under partial combustion conditions in a flame reactor using different mixtures of hydrocarbon gases in the presence and absence of precursors. The hydrogen (H2) adsorption studies have been carried out using a high pressure Sievert's apparatus maintained at a constant temperature (24 degrees C). The flame synthesized CNFs showed high degree of H2 adsorption capacities at 100 atm pressure. The highest H2 capacities recorded have been 4.1 wt% [for CNF produced by liquefied petroleum gas (LPG)-Air (E-17)], 3.7 wt% [for nano carbons produced by Methane-Acetylene-Air (EMAC-4)] and 5.04 wt% for [Lithium intercalated sample (Li-EMAC-4)] respectively.

  11. Enabling nucleophilic substitution reactions of activated alkyl fluorides through hydrogen bonding.

    Science.gov (United States)

    Champagne, Pier Alexandre; Pomarole, Julien; Thérien, Marie-Ève; Benhassine, Yasmine; Beaulieu, Samuel; Legault, Claude Y; Paquin, Jean-François

    2013-05-03

    It was discovered that the presence of water as a cosolvent enables the reaction of activated alkyl fluorides for bimolecular nucleophilic substitution reactions. DFT calculations show that activation proceeds through stabilization of the transition structure by a stronger F···H2O interaction and diminishing C-F bond elongation, and not simple transition state electrostatic stabilization. Overall, the findings put forward a distinct strategy for C-F bond activation through H-bonding.

  12. Ab initio study of hydrogen adsorption on benzenoid linkers in metal-organic framework materials

    International Nuclear Information System (INIS)

    Gao Yi; Zeng, X C

    2007-01-01

    We have computed the energies of adsorption of molecular hydrogen on a number of molecular linkers in metal-organic framework solid materials using density functional theory (DFT) and ab initio molecular orbital methods. We find that the hybrid B3LYP (Becke three-parameter Lee-Yang-Parr) DFT method gives a qualitatively incorrect prediction of the hydrogen binding with benzenoid molecular linkers. Both local-density approximation (LDA) and generalized gradient approximation (GGA) DFT methods are inaccurate in predicting the values of hydrogen binding energies, but can give a qualitatively correct prediction of the hydrogen binding. When compared to the more accurate binding-energy results based on the ab initio Moeller-Plesset second-order perturbation (MP2) method, the LDA results may be viewed as an upper limit while the GGA results may be viewed as a lower limit. Since the MP2 calculation is impractical for realistic metal-organic framework systems, the combined LDA and GGA calculations provide a cost-effective way to assess the hydrogen binding capability of these systems

  13. Final Report: Characterization of Hydrogen Adsorption in Carbon-Based Materials by NMR

    International Nuclear Information System (INIS)

    Wu, Yue; Kleinhammes, Alfred

    2011-01-01

    In support of DOE/EERE's Fuel Cell Technologies Program Hydrogen Sorption Center of Excellence (HSCoE), UNC conducted Nuclear Magnetic Resonance (NMR) measurements that contributed spectroscopic information as well as quantitative analysis of adsorption processes. While NMR based Langmuir isotherms produce reliable H2 capacity measurements, the most astute contribution to the center is provided by information on dihydrogen adsorption on the scale of nanometers, including the molecular dynamics of hydrogen in micropores, and the diffusion of dihydrogen between macro and micro pores. A new method to assess the pore width using H2 as probe of the pore geometry was developed and is based on the variation of the observed chemical shift of adsorbed dihydrogen as function of H2 pressure. Adsorbents designed and synthesized by the Center were assessed for their H2 capacity, the binding energy of the adsorption site, their pore structure and their ability to release H2. Feedback to the materials groups was provided to improve the materials properties. To enable in situ NMR measurements as a function of H2 pressure and temperature, a unique, specialized NMR system was designed and built. Pressure can be varied between 10-4 and 107 Pa while the temperature can be controlled between 77K and room temperature. In addition to the 1H investigation of the H2 adsorption process, NMR was implemented to measure the atomic content of substituted elements, e.g. boron in boron substituted graphitic material as well as to determine the local environment and symmetry of these substituted nuclei. The primary findings by UNC are the following: (1) Boron substituted for carbon in graphitic material in the planar BC3 configuration enhances the binding energy for adsorbed hydrogen; (2) Arrested kinetics of H2 was observed below 130K in the same boron substituted carbon samples that combine enhanced binding energy with micropore structure; (3) Hydrogen storage material made from activated PEEK

  14. Final Report: Characterization of Hydrogen Adsorption in Carbon-Based Materials by NMR

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Yue; Kleinhammes, Alfred

    2011-07-11

    In support of DOE/EERE's Fuel Cell Technologies Program Hydrogen Sorption Center of Excellence (HSCoE), UNC conducted Nuclear Magnetic Resonance (NMR) measurements that contributed spectroscopic information as well as quantitative analysis of adsorption processes. While NMR based Langmuir isotherms produce reliable H2 capacity measurements, the most astute contribution to the center is provided by information on dihydrogen adsorption on the scale of nanometers, including the molecular dynamics of hydrogen in micropores, and the diffusion of dihydrogen between macro and micro pores. A new method to assess the pore width using H2 as probe of the pore geometry was developed and is based on the variation of the observed chemical shift of adsorbed dihydrogen as function of H2 pressure. Adsorbents designed and synthesized by the Center were assessed for their H2 capacity, the binding energy of the adsorption site, their pore structure and their ability to release H2. Feedback to the materials groups was provided to improve the materials’ properties. To enable in situ NMR measurements as a function of H2 pressure and temperature, a unique, specialized NMR system was designed and built. Pressure can be varied between 10-4 and 107 Pa while the temperature can be controlled between 77K and room temperature. In addition to the 1H investigation of the H2 adsorption process, NMR was implemented to measure the atomic content of substituted elements, e.g. boron in boron substituted graphitic material as well as to determine the local environment and symmetry of these substituted nuclei. The primary findings by UNC are the following: • Boron substituted for carbon in graphitic material in the planar BC3 configuration enhances the binding energy for adsorbed hydrogen. • Arrested kinetics of H2 was observed below 130K in the same boron substituted carbon samples that combine enhanced binding energy with micropore structure. • Hydrogen storage material made from

  15. Hydrogen production from palm kernel shell via integrated catalytic adsorption (ICA) steam gasification

    International Nuclear Information System (INIS)

    Khan, Zakir; Yusup, Suzana; Ahmad, Murni Melati; Chin, Bridgid Lai Fui

    2014-01-01

    Highlights: • The paper presents integrated catalytic adsorption (ICA) steam gasification for H 2 yield. • Effects of adsorbent to biomass, biomass particle size and fluidization velocity on H 2 yield are examined. • The present study produces higher H 2 yield as compared to that obtained in literatures. • The ICA provides enhancement of H 2 yield as compared to independent catalytic and CO 2 adsorption gasification systems. - Abstract: The present study investigates the integrated catalytic adsorption (ICA) steam gasification of palm kernel shell for hydrogen production in a pilot scale atmospheric fluidized bed gasifier. The biomass steam gasification is performed in the presence of an adsorbent and a catalyst in the system. The effect of adsorbent to biomass (A/B) ratio (0.5–1.5 wt/wt), fluidization velocity (0.15–0.26 m/s) and biomass particle size (0.355–2.0 mm) are studied at temperature of 675 °C, steam to biomass (S/B) ratio of 2.0 (wt/wt) and biomass to catalyst ratio of 0.1 (wt/wt). Hydrogen composition and yield, total gas yield, and lower product gas heating values (LHV gas ) increases with increasing A/B ratio, while particle size has no significant effect on hydrogen composition and yield, total gas and char yield, gasification and carbon conversion efficiency. However, gas heating values increased with increasing biomass particle size which is due to presence of high methane content in product gas. Meanwhile, medium fluidization velocity of 0.21 m/s favoured hydrogen composition and yield. The results showed that the maximum hydrogen composition and yield of 84.62 vol% and 91.11 g H 2 /kg biomass are observed at A/B ratio of 1.5, S/B ratio of 2.0, catalyst to biomass ratio of 0.1 and temperature of 675 °C. The product gas heating values are observed in the range of 10.92–17.02 MJ/N m 3 . Gasification and carbon conversion efficiency are observed in the range of 25.66–42.95% and 20.61–41.95%, respectively. These lower

  16. Textural development and hydrogen adsorption of carbon materials from PET waste

    Energy Technology Data Exchange (ETDEWEB)

    Parra, J.B.; Ania, C.O.; Arenillas, A.; Rubiera, F.; Palacios, J.M.; Pis, J.J

    2004-10-06

    Polyethyleneterephthalate (PET) has become one of the major post-consumer plastic wastes. PET products present a problem of considerable concern due to the huge amount of solid waste produced. The disposal of this waste, together with its low bio- and photo-degradability represents a serious challenge for industrial countries all over the world. Pyrolysis could provide an alternative and economically viable route for processing PET waste due to the potential uses of different by-products: energy from the pyrolysis gases (58% yield in this work), recovery of terephthalic acid and other subproducts (20%), and a solid residue (22%), which has shown a high textural development after activation. The pyrolysis of PET waste was performed in a quartz reactor (i.d. 35 mm) under an inert atmosphere. Further activation was carried out at a temperature of 925 deg. C, with a flow rate of 10 ml min{sup -1} of CO{sub 2}. A series of carbon materials with different burn-off degrees was obtained. Textural characterisation of the samples was carried out by performing N{sub 2} adsorption isotherms at -196 deg. C. Changes in the morphological and structural properties of chars were studied by scanning electron microscopy (SEM) and X-ray diffraction (XRD). The carbons obtained were isotropic and highly microporous materials with apparent BET surface areas of up to 2500 m{sup 2} g{sup -1}. The suitability of the samples for hydrogen storage was studied by performing H{sub 2} adsorption measurements in the 0-1 bar pressure range. Adsorption-desorption experiments showed that reversible physisorption takes place in all the samples. The hydrogen adsorption capacities of the activated PET waste compare favourably well with those attained with high-value carbon materials.

  17. Textural development and hydrogen adsorption of carbon materials from PET waste

    International Nuclear Information System (INIS)

    Parra, J.B.; Ania, C.O.; Arenillas, A.; Rubiera, F.; Palacios, J.M.; Pis, J.J.

    2004-01-01

    Polyethyleneterephthalate (PET) has become one of the major post-consumer plastic wastes. PET products present a problem of considerable concern due to the huge amount of solid waste produced. The disposal of this waste, together with its low bio- and photo-degradability represents a serious challenge for industrial countries all over the world. Pyrolysis could provide an alternative and economically viable route for processing PET waste due to the potential uses of different by-products: energy from the pyrolysis gases (58% yield in this work), recovery of terephthalic acid and other subproducts (20%), and a solid residue (22%), which has shown a high textural development after activation. The pyrolysis of PET waste was performed in a quartz reactor (i.d. 35 mm) under an inert atmosphere. Further activation was carried out at a temperature of 925 deg. C, with a flow rate of 10 ml min -1 of CO 2 . A series of carbon materials with different burn-off degrees was obtained. Textural characterisation of the samples was carried out by performing N 2 adsorption isotherms at -196 deg. C. Changes in the morphological and structural properties of chars were studied by scanning electron microscopy (SEM) and X-ray diffraction (XRD). The carbons obtained were isotropic and highly microporous materials with apparent BET surface areas of up to 2500 m 2 g -1 . The suitability of the samples for hydrogen storage was studied by performing H 2 adsorption measurements in the 0-1 bar pressure range. Adsorption-desorption experiments showed that reversible physisorption takes place in all the samples. The hydrogen adsorption capacities of the activated PET waste compare favourably well with those attained with high-value carbon materials

  18. A separation process for hydrogen fluoride from its mixtures with 1,1,1-trifluoro-2-chloroethane

    Energy Technology Data Exchange (ETDEWEB)

    Galland, J.M.; Perdriau, R.; Rouzies, D.

    1994-03-11

    When decanting the mixture of hydrogen fluoride (HF) and 1,1,1-trifluoro-2-chloroethane (F133a) at a temperature between -40 deg C and -10 deg C, a lower organic phase, poor in HF, and a superior phase, rich in HF, are obtained (the reaction may be activated with trichlorethylen); the superior phase can be directly recycled in the fluorination reactor or distilled in order to separate the HF-F133a azeotrope (the head), which is sent back to the decanter, and a quasi-pure HF (the ends). The lower phase distillation produces HF-F133a (head) and a mixture of F133a and trichlorethylen (ends); this mixture is then distilled and pure F133a is separated from trichlorethylen. 9 p., 2 fig.

  19. Energy-momentum spectroscopy of the outervalence 3 {sigma} and 1{pi} states of hydrogen fluoride: a reanalysis

    Energy Technology Data Exchange (ETDEWEB)

    Nicholson, R.; McCarthy, I.E.; Weigold, E.; Brunger, M.J.

    1996-03-01

    We highlight and examine in detail a discrepancy that exists between the results of various single-channel and multiparameter electron momentum spectroscopy (EMS) studies into the outervalence states of hydrogen fluoride (HF). In an attempt to elucidate the nature of this problem and the disagreement that exists between the best available theoretical momentum distributions (MDs), as calculated in the plane-wave-impulse-approximation with wavefunctions at the near-Hartree-Fock limit, and the most accurate experimental MDs, we have adapted a method, originally applied to extract atomic orbital information from Compton profiles to our 3{sigma} and 1{pi} experimental MDs. In addition we have also applied this technique to the 2s and 2p orbitals of neon, which is isoelectronic with HF, with the ramifications of the results of this investigation to HF also being outlined. (authors). 17 refs., 3 tabs., 5 figs.

  20. Fluoride removal from aqueous solution by pumice: case study on ...

    African Journals Online (AJOL)

    EJIRO

    conditions, the fluoride removal efficiency from Kuhbonan water by 2.8 mg/L fluoride was 74.64%. Eventually ... industrial wastewater containing fluoride is a key ..... solution using silica ceramic: Adsorption kinetics and equilibrium studies.

  1. Excess Adsorption Isotherms of Hydrogen on Activated Carbons from Agricultural Waste Materials.

    Czech Academy of Sciences Publication Activity Database

    Soukup, Karel; Hejtmánek, Vladimír; Cruz, G.J.F.; Jandová, Věra; Šolcová, Olga

    2017-01-01

    Roč. 40, č. 5 (2017), s. 900-906 ISSN 0930-7516. [International Congress of Chemical and Process Engineering CHISA 2016 and the 19th Conference PRES 2016 /22./. Prague, 27.08.2016-31.08.2016] R&D Projects: GA ČR GA15-14228S Grant - others:NUT(PE) 0722-2014/UNT-R Institutional support: RVO:67985858 Keywords : activated carbon * hydrogen * excess adsorption Subject RIV: CI - Industrial Chemistry, Chemical Engineering OBOR OECD: Chemical process engineering Impact factor: 2.051, year: 2016

  2. A theoretical study of the hydrogen bonding between the vic-, cis- and trans-C 2H 2F 2 isomers and hydrogen fluoride

    Science.gov (United States)

    Rusu, Victor H.; da Silva, João Bosco P.; Ramos, Mozart N.

    2009-04-01

    MP2/6-31++G(d,p) and B3LYP/6-31++G(d,p) theoretical calculations have been employed to investigate the hydrogen bonding formation involving the vic-, cis- and trans-C 2H 2F 2 isomers and hydrogen fluoride. Our calculations have revealed for each isomer the preferential existence of two possible hydrogen-bonded complexes: a non-cyclic complex and a cyclic complex. For all the three isomers the binding energies for the non-cyclic and cyclic hydrogen complexes are essentially equal using both the MP2 and B3LYP calculations, being that the cyclic structure is slightly more stable. For instance, the binding energies including BSSE and ZPE corrections for the non-cyclic and cyclic structures of cis-C 2H 2F···HF are 8.7 and 9.0 kJ mol -1, respectively, using B3LYP calculations. The cyclic complex formation reduces the polarity, in contrast to what occurs with the non-cyclic complex. This result is more accentuated in vic-C 2H 2F 2···HF. In this latter, Δ μ(cyclic) is -3.07 D, whereas Δ μ(non-cyclic) is +1.92 D using B3LYP calculations. Their corresponding MP2 values are +0.44 D and -1.89 D, respectively. As expected, the complexation produces an H sbnd F stretching frequency downward shift, whereas its IR intensity is enhanced. On the other hand, the vibrational modes of the vic-, cis- and trans-C 2H 2F 2 isomers are little affected by complexation. The new vibrational modes due to hydrogen bonding formation show several interesting features, in particular the HF bending modes which are pure rotations in the free molecule.

  3. Metal-Free Catalytic Asymmetric Fluorination of Keto Esters Using a Combination of Hydrogen Fluoride (HF) and Oxidant: Experiment and Computation

    KAUST Repository

    Pluta, Roman

    2018-02-09

    A chiral iodoarene organocatalyst for the catalytic asymmetric fluorination has been developed. The catalyst was used in the asymmetric fluorination of carbonyl compounds, providing the products with a quaternary stereocenter with high enantioselectivities. Chiral hypervalent iodine difluoride intermediates were generated in situ by treatment of the catalyst with an oxidant and hydrogen fluoride as fluoride source. As such, the α-fluorination of a carbonyl compound was achieved with a nucleophilic fluorine source. A combined computational and experimental approach provided insight into the reaction mechanism and the origin of enantioselectivity.

  4. Metal-Free Catalytic Asymmetric Fluorination of Keto Esters Using a Combination of Hydrogen Fluoride (HF) and Oxidant: Experiment and Computation

    KAUST Repository

    Pluta, Roman; Krach, Patricia E.; Cavallo, Luigi; Falivene, Laura; Rueping, Magnus

    2018-01-01

    A chiral iodoarene organocatalyst for the catalytic asymmetric fluorination has been developed. The catalyst was used in the asymmetric fluorination of carbonyl compounds, providing the products with a quaternary stereocenter with high enantioselectivities. Chiral hypervalent iodine difluoride intermediates were generated in situ by treatment of the catalyst with an oxidant and hydrogen fluoride as fluoride source. As such, the α-fluorination of a carbonyl compound was achieved with a nucleophilic fluorine source. A combined computational and experimental approach provided insight into the reaction mechanism and the origin of enantioselectivity.

  5. Novel alternating polymer adsorption/surface activation self-assembled film based on hydrogen bond

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Yongjun; Yang Shuguang; Guan Ying; Miao Xiaopeng; Cao Weixiao; Xu Jian

    2003-08-01

    By combining hydrogen bonding layer-by-layer self-assembly and the stepwise chemisorption method, a new alternating polymer adsorption/surface activation self-assembly method was developed. First a layer of diphenylamine-4-diazonium-formaldehyde resin (diazo resin or DR) is deposited on a substrate. In the following surface activation step, the diazonium groups on the surface couple with resorcin in the outside solution. The deposition of another layer of DR is feasible due to the formation of hydrogen bond between the diazonium group of DR and the hydroxy group of the resorcin moieties. The resulting film is photosensitive. After UV irradiation, the film becomes very stable towards polar organic solvents.

  6. Optimization Study of Hydrogen Gas Adsorption on Zig-zag Single-walled Carbon Nanotubes: The Artificial Neural Network Analysis

    Science.gov (United States)

    Nasruddin; Lestari, M.; Supriyadi; Sholahudin

    2018-03-01

    The use of hydrogen gas in fuel cell technology has a huge opportunity to be applied in upcoming vehicle technology. One of the most important problems in fuel cell technology is the hydrogen storage. The adsorption of hydrogen in carbon-based materials attracts a lot of attention because of its reliability. This study investigated the adsorption of hydrogen gas in Single-walled Carbon Nano Tubes (SWCNT) with chilarity of (0, 12), (0, 15), and (0, 18) to find the optimum chilarity. Artificial Neural Networks (ANN) can be used to predict the hydrogen storage capacity at different pressure and temperature conditions appropriately, using simulated series of data. The Artificial Neural Network is modeled as a predictor of the hydrogen adsorption capacity which provides solutions to some deficiencies in molecular dynamics (MD) simulations. In a previous study, ANN configurations have been developed for 77k, 233k, and 298k temperatures in hydrogen gas storage. To prepare this prediction, ANN is modeled to find out the configurations that exist in the set of training and validation of specified data selection, the distance between data, and the number of neurons that produce the smallest error. This configuration is needed to make an accurate artificial neural network. The configuration of neural network was then applied to this research. The neural network analysis results show that the best configuration of artificial neural network in hydrogen storage is at 233K temperature i.e. on SWCNT with chilarity of (0.12).

  7. Hydrogen-Induced Adsorption of Carbon Monoxide on the Gold Dimer Cation: A Joint Experimental and DFT Investigation.

    Science.gov (United States)

    Vojkovic, Marin; Rayane, Driss; Antoine, Rodolphe; Broyer, Michel; Allouche, Abdul-Rahman; Mignon, Pierre; Dugourd, Philippe

    2017-06-15

    It is demonstrated, using tandem mass spectrometry and radio frequency ion trap, that the adsorption of a H atom on the gold dimer cation, Au 2 H + , prevents its dissociation and allows for adsorption of CO. Reaction kinetics are measured by employing a radio frequency ion trap, where Au 2 + and CO interact for a given reaction time. The effect of a hydrogen atom is evaluated by comparing reaction rate constants measured for Au 2 + and Au 2 H + . The theoretical results for the adsorption of CO molecules and their reaction characteristics with Au 2 + and Au 2 H + are found to agree with the experimental findings. The joint investigations provide insights into hydrogen atom adsorption effects and consequent reaction mechanisms.

  8. Substituent effects in heterogeneous catalysis--4. Adsorption estimations during competitive hydrogenation of cyclohexanone and its 2-alkyl derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Chihara, T; Tanaka, K

    1979-02-01

    Adsorption estimations during competitive hydrogenation of cyclohexanone and its 2-alkyl derivatives alumina-supported ruthenium, rhodium, and platinum catalysts were obtained in a study to determine the relative contributions of the rate constants and the adsorption equilibrium constants to the substituent-dependent constant. The reaction rates obtained during competitive hydrogenation were in the order cyclohexanone (A) Vertical Bar3:Vertical Bar3: 2-methyl cyclohexanone (B) Vertical Bar3: 2-ethyl cyclohexanone (C) Vertical Bar3: 2-propyl cyclohexanone (D) for all catalysts, whereas the rates obtained during individual hydrogenation were in the order A Vertical Bar3: B approx. C approx. D. The adsorption equilibrium constants which were estimated by analyzing the kinetic data agreed well with the theoretical values derived from statistical mechanics by using a model in which the substrate ketones were immobilely adsorbed.

  9. The effect of amorphous silicon surface hydrogenation on morphology, wettability and its implication on the adsorption of proteins

    Energy Technology Data Exchange (ETDEWEB)

    Filali, Larbi, E-mail: larbifilali5@gmail.com [Laboratoire de Physique des Couches Minces et Matériaux pour l' Electronique, Université d' Oran 1, Ahmed Ben Bella, BP 1524, El M' naouar 31100 Oran (Algeria); Brahmi, Yamina; Sib, Jamal Dine [Laboratoire de Physique des Couches Minces et Matériaux pour l' Electronique, Université d' Oran 1, Ahmed Ben Bella, BP 1524, El M' naouar 31100 Oran (Algeria); Bouhekka, Ahmed [Laboratoire de Physique des Couches Minces et Matériaux pour l' Electronique, Université d' Oran 1, Ahmed Ben Bella, BP 1524, El M' naouar 31100 Oran (Algeria); Département de Physique, Université Hassiba Ben Bouali, 02000 Chlef (Algeria); Benlakehal, Djamel; Bouizem, Yahya; Kebab, Aissa; Chahed, Larbi [Laboratoire de Physique des Couches Minces et Matériaux pour l' Electronique, Université d' Oran 1, Ahmed Ben Bella, BP 1524, El M' naouar 31100 Oran (Algeria)

    2016-10-30

    Highlights: • Hydrogenation of the surfaces had the effect of reducing the roughness by way of shadow etching. • Roughness was the driving factor affecting the wettability of the hydrogenated surfaces. • Bovine Serum Albumin proteins favored the surfaces with highest hydrogen content. • Surface modification induced secondary structure change of adsorbed proteins. - Abstract: We study the effect of amorphous silicon (a-Si) surface hydrogenation on Bovine Serum Albumin (BSA) adsorption. A set of (a-Si) films was prepared by radio frequency magnetron sputtering (RFMS) and after deposition; they were treated in molecular hydrogen ambient at different pressures (1–3 Pa). Fourier transform infrared attenuated total reflection (FTIR-ATR) spectroscopy and spectroscopic ellipsometry (SE) were used to study the hydrogenation effect and BSA adsorption. Atomic force microscopy (AFM) was used to evaluate morphological changes caused by hydrogenation. The wettability of the films was measured using contact angle measurement, and in the case of the hydrogenated surfaces, it was found to be driven by surface roughness. FTIR-ATR spectroscopy and SE measurements show that proteins had the strongest affinity toward the surfaces with the highest hydrogen content and their secondary structure was affected by a significant decrease of the α-helix component (-27%) compared with the proteins adsorbed on the un-treated surface, which had a predominantly α-helix (45%) structure. The adsorbed protein layer was found to be densely packed with a large thickness (30.9 nm) on the hydrogen-rich surfaces. The most important result is that the surface hydrogen content was the dominant factor, compared to wettability and morphology, for protein adsorption.

  10. Acetal Resins, Acrylic & Modacrylic Fibers, Carbon Black, Hydrogen Fluoride, Polycarbonate, Ethylene, Spandex & Cyanide Chemical Manufacturing: NESHAP for Source Categories, Generic Maximum Achievable Control Technology Standards (40 CFR 63, Subpart YY)

    Science.gov (United States)

    Learn about the NESHAP for GMACT for acetal resins, hydrogen fluoride, polycarbonate, ethylene production and cyanide chemicals. Find the rule history information, federal register citations, legal authority, rule summary, and additional resources

  11. Direct observation and modelling of ordered hydrogen adsorption and catalyzed ortho-para conversion on ETS-10 titanosilicate material.

    Science.gov (United States)

    Ricchiardi, Gabriele; Vitillo, Jenny G; Cocina, Donato; Gribov, Evgueni N; Zecchina, Adriano

    2007-06-07

    Hydrogen physisorption on porous high surface materials is investigated for the purpose of hydrogen storage and hydrogen separation, because of its simplicity and intrinsic reversibility. For these purposes, the understanding of the binding of dihydrogen to materials, of the structure of the adsorbed phase and of the ortho-para conversion during thermal and pressure cycles are crucial for the development of new hydrogen adsorbents. We report the direct observation by IR spectroscopic methods of structured hydrogen adsorption on a porous titanosilicate (ETS-10), with resolution of the kinetics of the ortho-para transition, and an interpretation of the structure of the adsorbed phase based on classical atomistic simulations. Distinct infrared signals of o- and p-H2 in different adsorbed states are measured, and the conversion of o- to p-H2 is monitored over a timescale of hours, indicating the presence of a catalyzed reaction. Hydrogen adsorption occurs in three different regimes characterized by well separated IR manifestations: at low pressures ordered 1:1 adducts with Na and K ions exposed in the channels of the material are formed, which gradually convert into ordered 2:1 adducts. Further addition of H2 occurs only through the formation of a disordered condensed phase. The binding enthalpy of the Na+-H2 1:1 adduct is of -8.7+/-0.1 kJ mol(-1), as measured spectroscopically. Modeling of the weak interaction of H2 with the materials requires an accurate force field with a precise description of both dispersion and electrostatics. A novel three body force field for molecular hydrogen is presented, based on the fitting of an accurate PES for the H2-H2 interaction to the experimental dipole polarizability and quadrupole moment. Molecular mechanics simulations of hydrogen adsorption at different coverages confirm the three regimes of adsorption and the structure of the adsorbed phase.

  12. A DFT+U investigation of hydrogen adsorption on the LaFeO3(010) surface

    NARCIS (Netherlands)

    Boateng, Isaac W.; Tia, Richard; Adei, Evans; Dzade, N.Y.; Catlow, C. Richard A.; de Leeuw, Nora H.

    2017-01-01

    The ABO3 perovskite lanthanum ferrite (LaFeO3) is a technologically important electrode material for nickel–metal hydride batteries, energy storage and catalysis. However, the electrochemical hydrogen adsorption mechanism on LaFeO3 surfaces remains under debate. In the present study, we have

  13. Combined theoretical and FTIR spectroscopic studies on hydrogen adsorption on the zeolites Na-FER and K-FER

    Czech Academy of Sciences Publication Activity Database

    Areán, C. O.; Palomino, G. T.; Garrone, E.; Nachtigallová, Dana; Nachtigall, Petr

    2006-01-01

    Roč. 110, č. 1 (2006), s. 395-402 ISSN 1520-6106 R&D Projects: GA MŠk(CZ) LC512 Institutional research plan: CEZ:AV0Z40550506 Keywords : adsorption * hydrogen storage * spectroscopy Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.115, year: 2006

  14. New template for metal decoration and hydrogen adsorption on graphene-like C3N4

    International Nuclear Information System (INIS)

    Zhang Yi; Sun Hong; Chen Changfeng

    2009-01-01

    From density functional theory calculations we identify a graphene-like C 3 N 4 (g-C 3 N 4 ) as an excellent template for stable and well dispersed decoration of alkali (Li) and 3d transition metal (TM) atoms. The porous sites of g-C 3 N 4 accommodate excessive N lone-pair electrons and promote hybridization between the orbitals of N and the metal atoms. The most stable TM decorations (Ti and Sc) on g-C 3 N 4 exhibit high capacities of hydrogen adsorption with binding energies suitable for mobile applications. These metal decorated g-C 3 N 4 may also prove useful in catalytic and sensing applications for their unique nanoscale structural features unavailable in conventional nano-clusters.

  15. Fluoridated Water

    Science.gov (United States)

    ... Genetics Services Directory Cancer Prevention Overview Research Fluoridated Water On This Page What is fluoride, and where is it found? What is water fluoridation? When did water fluoridation begin in the ...

  16. Density functional study of manganese atom adsorption on hydrogen-terminated armchair boron nitride nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    Abdullahi, Yusuf Zuntu [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Department of Physics, Faculty of Science, Kaduna State University, P.M.B. 2339, Kaduna State (Nigeria); Rahman, Md. Mahmudur, E-mail: mahmudur@upm.edu.my [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Shuaibu, Alhassan [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Department of Physics, Faculty of Science, Nigerian Defence Academy, P.M.B 2109 Kaduna (Nigeria); Abubakar, Shamsu [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Department of Physics, Faculty of Science, Yobe State University, P.M.B. 1144, Yobe State (Nigeria); Zainuddin, Hishamuddin [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Institute for Mathematical Research, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Muhida, Rifki [Department of Physics-Energy Engineering, Surya University, Gedung 01 Scientia Business Park, Jl. Boulevard Gading Serpong Blok O/1, Summarecon Serpong, Tangerang 15810, Banten (Indonesia); Setiyanto, Henry [Analytical Chemistry Research Group, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung, Jl. Ganesha no. 10, Bandung 40132 (Indonesia)

    2014-08-15

    In this paper, we have investigated stable structural, electric and magnetic properties of manganese (Mn) atom adsorption on armchair hydrogen edge-terminated boron nitride nanoribbon (A-BNNRs) using first principles method based on density-functional theory with the generalized gradient approximation. Calculation shows that Mn atom situated on the ribbons of A-BNNRs is the most stable configuration, where the bonding is more pronounced. The projected density of states (PDOS) of the favored configuration has also been computed. It has been found that the covalent bonding of boron (B), nitrogen (N) and Mn is mainly contributed by s, d like-orbitals of Mn and partially occupied by the 2p like-orbital of N. The difference in energy between the inner and the edge adsorption sites of A-BNNRs shows that Mn atoms prefer to concentrate at the edge sites. The electronic structures of the various configurations are wide, narrow-gap semiconducting and half-metallic, and the magnetic moment of Mn atoms are well preserved in all considered configurations. This has shown that the boron nitride (BN) sheet covered with Mn atoms demonstrates additional information on its usefulness in future spintronics, molecular magnet and nanoelectronics devices.

  17. Influence of metal doping of a MOF-74 framework on hydrogen adsorption

    Energy Technology Data Exchange (ETDEWEB)

    Botas, J.A.; Calleja, G.; Orcajo, M.G. [Rey Juan Carlos Univ., Madrid (Spain). Dept. of Chemical and Energy Technology; Sanchez-Sanchez, M. [CSIC, Madrid (Spain). Inst. de Catalisis y Petroleoquimica

    2010-07-01

    Microporous Metal-Organic Framework (MOF) adsorbents are considered an interesting option for hydrogen storage. Due to their porous nature and unusually high surface areas, these materials show an exceptional H{sub 2} uptake. Unfortunately, their interaction with H{sub 2} molecules is weak, so cryogenic temperatures are required to reach competitive H{sub 2} storage capacities. In this sense, the presence of coordinatively unsaturated and exposed metal centers in some MOF frameworks could increase the affinity for H{sub 2} through stronger metal-H{sub 2} interactions. In this preliminary work, the effect of doping a Zn{sup 2+}-MOF-74 framework with Co{sup 2+}, Cu{sup 2+} and Mg{sup 2+} on its adsorption properties for H{sub 2} has been studied. Characterization studies suggest that the samples prepared have actually the MOF-74 structure, in which the different tested heteroatom ions have been successfully incorporated. The differences in H{sub 2} adsorption at 77 K and 87 K between the MOF-74 samples doped with the mentioned divalent metal ions were discussed as a function of their free pore volume and amount of metal incorporation. (orig.)

  18. Density functional study of manganese atom adsorption on hydrogen-terminated armchair boron nitride nanoribbons

    International Nuclear Information System (INIS)

    Abdullahi, Yusuf Zuntu; Rahman, Md. Mahmudur; Shuaibu, Alhassan; Abubakar, Shamsu; Zainuddin, Hishamuddin; Muhida, Rifki; Setiyanto, Henry

    2014-01-01

    In this paper, we have investigated stable structural, electric and magnetic properties of manganese (Mn) atom adsorption on armchair hydrogen edge-terminated boron nitride nanoribbon (A-BNNRs) using first principles method based on density-functional theory with the generalized gradient approximation. Calculation shows that Mn atom situated on the ribbons of A-BNNRs is the most stable configuration, where the bonding is more pronounced. The projected density of states (PDOS) of the favored configuration has also been computed. It has been found that the covalent bonding of boron (B), nitrogen (N) and Mn is mainly contributed by s, d like-orbitals of Mn and partially occupied by the 2p like-orbital of N. The difference in energy between the inner and the edge adsorption sites of A-BNNRs shows that Mn atoms prefer to concentrate at the edge sites. The electronic structures of the various configurations are wide, narrow-gap semiconducting and half-metallic, and the magnetic moment of Mn atoms are well preserved in all considered configurations. This has shown that the boron nitride (BN) sheet covered with Mn atoms demonstrates additional information on its usefulness in future spintronics, molecular magnet and nanoelectronics devices.

  19. Interface passivation and trap reduction via hydrogen fluoride for molybdenum disulfide on silicon oxide back-gate transistors

    Science.gov (United States)

    Hu, Yaoqiao; San Yip, Pak; Tang, Chak Wah; Lau, Kei May; Li, Qiang

    2018-04-01

    Layered semiconductor molybdenum disulfide (MoS2) has recently emerged as a promising material for flexible electronic and optoelectronic devices because of its finite bandgap and high degree of gate control. Here, we report a hydrogen fluoride (HF) passivation technique for improving the carrier mobility and interface quality of chemical vapor deposited monolayer MoS2 on a SiO2/Si substrate. After passivation, the fabricated MoS2 back-gate transistors demonstrate a more than double improvement in average electron mobility, a reduced gate hysteresis gap of 3 V, and a low interface trapped charge density of ˜5.8 × 1011 cm-2. The improvements are attributed to the satisfied interface dangling bonds, thus a reduction of interface trap states and trapped charges. Surface x-ray photoelectron spectroscopy analysis and first-principles simulation were performed to verify the HF passivation effect. The results here highlight the necessity of a MoS2/dielectric passivation strategy and provides a viable route for enhancing the performance of MoS2 nano-electronic devices.

  20. Adsorption

    Directory of Open Access Journals (Sweden)

    Sushmita Banerjee

    2017-05-01

    Full Text Available Application of saw dust for the removal of an anionic dye, tartrazine, from aqueous solutions has been investigated. The experiments were carried out in batch mode. Effect of the parameters such as pH, initial dye concentration and temperature on the removal of the dye was studied. Equilibrium was achieved in 70 min. Maximum adsorption of dye was achieved at pH 3. Removal percent was found to be dependent on the initial concentration of dye solution, and maximum removal was found to be 97% at 1 mg/L of tartrazine. The removal increases from 71% to 97% when the initial concentration of dye solution decreases from 15 mg/L to 1 mg/L. The equilibrium adsorption data were analyzed by Langmuir, Freundlich, Temkin and Dubinin–Radushkevich isotherm models. The (Langmuir adsorption capacity of the adsorbent is found to be 4.71 mg/g at 318 K. Kinetic modeling of the process of removal was carried out and the process of removal was found to follow a pseudo second order model and the value of rate constant for adsorption process was calculated as 2.7 × 10−3 g mg−1 min−1 at 318 K. The thermodynamic parameters such as change in free energy (ΔG°, enthalpy (ΔH° and entropy (ΔS° were determined and the negative values of ΔG° indicated that the process of removal was spontaneous at all values of temperatures. Further, the values of ΔH° indicated the endothermic nature of the process of removal.

  1. Investigation of hydrogen adsorption centers on Y2O3 by IR-spectroscopy method in diffusive-scattered light

    International Nuclear Information System (INIS)

    Zubkov, S.A.; Borovkov, V.Yu.

    1985-01-01

    Adsorption of hydrogen and carbon oxide at the yttrium oxide at 80 K (5x30 3 PaH 2 ) and 300 K (6.5x10 2 PaCO) respectively are studied by the method of IR spectroscopy. It is shown, that at the surface of yttrium oxide trained in vacuum at 970 K, at least four types of centres of hydrogen adsorption, able to polarize H-H bond in a molecule, exist. Acid-base couple is the highest polarized centre, in the content of which there is a coordination-unsaturated highly-charged yttrium cation. Low-temperature dissociation of hydrogen on Y 2 O 3 surface occurs on the centres which polarized H-H bond in molecule comparatively slow

  2. Trapping and stabilization of hydrogen atoms in intracrystalline voids. Defected calcium fluorides and Y zeolite surfaces

    International Nuclear Information System (INIS)

    Iton, L.E.; Turkevich, J.

    1978-01-01

    Using EPR spectroscopy, it has been established that H. atoms are absorbed from the gas phase when CaF 2 powder is exposed to H 2 gas in which a microwave discharge is sustained, being trapped in sites that provide unusual thermal stability. The disposition of the trapped atoms is determined by the occluded water content of the CaF 2 . For ultrapure CaF 2 , atoms are trapped in interstitial sites having A 0 = 1463 MHz; for increasing water content, two types of trapped H. atoms are discriminated, with preferential trapping in void sites (external to the regular fluorite lattice) that are associated with the H 2 O impurity. Characterization of these ''extra-lattice'' H. (and D.) atoms is presented, and their EPR parameters and behavior are discussed in detail. Failure to effect H.-D. atom exchange with D 2 gas suggests that atoms are not stabilized on the CaF 2 surface. H. atoms are trapped exclusively in ''extra-lattice'' sites when the water-containing CaF 2 is γ irradiated at 77 or 298 K indicating that the scission product atoms do not escape from the precursor void region into the regular lattice. It is concluded that the thermal stability of the ''extra-lattice'' atoms, like that of the interstitial atoms, is determined ultimately by the high activation energy for diffusion of the H. atom through the CaF 2 lattice. For comparison, results obtained from H. atoms trapped in γ-irradiated rare earth ion-exchanged Y zeolites are presented and discussed also; these ''surface'' trapped atoms do not exhibit great thermalstability. Distinctions in the H. atom formation mechanisms between the fluorides and the zeolites were deduced from the accompanying paramagnetic species formed. The intracavity electric fields in the Y zeolites have been estimated from the H. atoms hfsc contractions, and are found to be very high, about 1 V/A

  3. Hydrogen production from food wastes and gas post-treatment by CO2 adsorption

    International Nuclear Information System (INIS)

    Redondas, V.; Gómez, X.; García, S.; Pevida, C.; Rubiera, F.; Morán, A.; Pis, J.J.

    2012-01-01

    Highlights: ► The dark fermentation process of food wastes was studied over an extended period. ► Decreasing the HRT of the process negatively affected the specific gas production. ► Adsorption of CO 2 was successfully attained using a biomass type activated carbon. ► H 2 concentration in the range of 85–95% was obtained for the treated gas-stream. - Abstract: The production of H 2 by biological means, although still far from being a commercially viable proposition, offers great promise for the future. Purification of the biogas obtained may lead to the production of highly concentrated H 2 streams appropriate for industrial application. This research work evaluates the dark fermentation of food wastes and assesses the possibility of adsorbing CO 2 from the gas stream by means of a low cost biomass-based adsorbent. The reactor used was a completely stirred tank reactor run at different hydraulic retention times (HRTs) while the concentration of solids of the feeding stream was kept constant. The results obtained demonstrate that the H 2 yields from the fermentation of food wastes were affected by modifications in the hydraulic retention time (HRT) due to incomplete hydrolysis. The decrease in the duration of fermentation had a negative effect on the conversion of the substrate into soluble products. This resulted in a lower amount of soluble substrate being available for metabolisation by H 2 producing microflora leading to a reduction in specific H 2 production. Adsorption of CO 2 from a gas stream generated from the dark fermentation process was successfully carried out. The data obtained demonstrate that the column filled with biomass-derived activated carbon resulted in a high degree of hydrogen purification. Co-adsorption of H 2 S onto the activated carbon also took place, there being no evidence of H 2 S present in the bio-H 2 exiting the column. Nevertheless, the concentration of H 2 S was very low, and this co-adsorption did not affect the CO 2

  4. Hydrogen adsorption strength and sites in the metal organic framework MOF5: Comparing experiment and model calculations

    Science.gov (United States)

    Mulder, F. M.; Dingemans, T. J.; Schimmel, H. G.; Ramirez-Cuesta, A. J.; Kearley, G. J.

    2008-07-01

    Hydrogen adsorption in porous, high surface area, and stable metal organic frameworks (MOF's) appears a novel route towards hydrogen storage materials [N.L. Rosi, J. Eckert, M. Eddaoudi, D.T. Vodak, J. Kim, M. O'Keeffe, O.M. Yaghi, Science 300 (2003) 1127; J.L.C. Rowsell, A.R. Millward, K. Sung Park, O.M. Yaghi, J. Am. Chem. Soc. 126 (2004) 5666; G. Ferey, M. Latroche, C. Serre, F. Millange, T. Loiseau, A. Percheron-Guegan, Chem. Commun. (2003) 2976; T. Loiseau, C. Serre, C. Huguenard, G. Fink, F. Taulelle, M. Henry, T. Bataille, G. Férey, Chem. Eur. J. 10 (2004) 1373]. A prerequisite for such materials is sufficient adsorption interaction strength for hydrogen adsorbed on the adsorption sites of the material because this facilitates successful operation under moderate temperature and pressure conditions. Here we report detailed information on the geometry of the hydrogen adsorption sites, based on the analysis of inelastic neutron spectroscopy (INS). The adsorption energies for the metal organic framework MOF5 equal about 800 K for part of the different sites, which is significantly higher than for nanoporous carbon materials (˜550 K) [H.G. Schimmel, G.J. Kearley, M.G. Nijkamp, C.T. Visser, K.P. de Jong, F.M. Mulder, Chem. Eur. J. 9 (2003) 4764], and is in agreement with what is found in first principles calculations [T. Sagara, J. Klassen, E. Ganz, J. Chem. Phys. 121 (2004) 12543; F.M. Mulder, T.J. Dingemans, M. Wagemaker, G.J. Kearley, Chem. Phys. 317 (2005) 113]. Assignments of the INS spectra is realized using comparison with independently published model calculations [F.M. Mulder, T.J. Dingemans, M. Wagemaker, G.J. Kearley, Chem. Phys. 317 (2005) 113] and structural data [T. Yildirim, M.R. Hartman, Phys. Rev. Lett. 95 (2005) 215504].

  5. Hydrogen adsorption on activated carbon nanotubes with an atomic-sized vanadium catalyst investigated by electrical resistance measurements

    International Nuclear Information System (INIS)

    Im, Ji Sun; Yun, Jumi; Kang, Seok Chang; Lee, Sung Kyu; Lee, Young-Seak

    2012-01-01

    Activated multi-walled carbon nanotubes were prepared with appended vanadium as a hydrogen storage medium. The pore structure was significantly improved by an activation process that was studied using Raman spectroscopy, field emission transmission electron microscopy and pore analysis techniques. X-ray photoelectron spectroscopy and X-ray diffraction results reveal that the vanadium catalyst was introduced into the carbon nanotubes in controlled proportions, forming V 8 C 7 . The improved pore structure functioned as a path through the carbon nanotubes that encouraged hydrogen molecule adsorption, and the introduced vanadium catalyst led to high levels of hydrogen storage through the dissociation of hydrogen molecules via the spill-over phenomenon. The hydrogen storage behavior was investigated by electrical resistance measurements for the hydrogen adsorbed on a prepared sample. The proposed mechanism of hydrogen storage suggests that the vanadium catalyst increases not only the amount of hydrogen that is stored but also the speed at which it is stored. A hydrogen storage capacity of 2.26 wt.% was achieved with the activation effects and the vanadium catalyst at 30 °C and 10 MPa.

  6. EFFECT OF DIATOMEAOUS EARTH TREATMENT USING HYDROGEN CHLORIDE AND SULFURIC ACID ON KINETICS OF CADMIUM(II ADSORPTION

    Directory of Open Access Journals (Sweden)

    Nuryono Nuryono

    2010-06-01

    Full Text Available In this research, treatment of diatomaceous earth, Sangiran, Central Java using hydrogen chloride (HCl and sulfuric acid (H2SO4 on kinetics of Cd(II adsorption in aqueous solution has been carried out. The work was conducted by mixing an amount of grounded diatomaceous earth (200 mesh in size with HCl or H2SO4 solution in various concentrations for two hours at temperature range of 100 - 150oC. The mixture was then filtered and washed with water until the filtrate pH is approximately 7 and then the residue was dried for four hours at a temperature of 70oC. The product was used as an adsorbent to adsorb Cd(II in aqueous solution with various concentrations. The Cd(II adsorbed was determined by analyzing the rest of Cd(II in the solution using atomic absorption spectrophotometry. The effect of treatment was evaluated from kinetic parameter of adsorption rate constant calculated based on the simple kinetic model. Results showed  that before equilibrium condition reached, adsorpstion of Cd(II occurred through two steps, i.e. a step tends to follow a reaction of irreversible first order  (step I followed by reaction of reversible first order (step II. Treatment with acids, either hydrogen chloride or sulfuric acid, decreased adsorption rate constant for the step I from 15.2/min to a range of 6.4 - 9.4/min.  However, increasing concentration of acid (in a range of concentration investigated did not give significant and constant change of adsorption rate constant. For step II process,  adsorption involved physical interaction with the sufficient low adsorption energy (in a range of 311.3 - 1001 J/mol.     Keywords: adsorption, cdmium, diatomaceous earth, kinetics.

  7. Hydrogen sulfide adsorption on activated carbon fiber. Tests on Parisian subway; Elimination du sulfure d'hydrogene par adsorption sur tissu de charbon actif. Essais sur site RATP

    Energy Technology Data Exchange (ETDEWEB)

    Bouzaza, A.; Marsteau, St.; Laplanche, A. [Ecole Nationale Superieure de Chimie, Lab. Chimie des Nuissances et Genie de l' Environnement - CNGE, 35 - Rennes (France); Garrot, B. [RATP, Dept. Environnement et Securite-Domaines d' Expertises de l' Environnement-Entite Qualite de l' Air, 75 - Paris (France)

    2003-06-01

    Hydrogen sulfide has an unpleasant odor and may cause damage to the electrical materials of the Parisian subway. The activated carbon has some intrinsic catalytic activity, so the removal of hydrogen sulfide is due to an adsorption-oxidation process. In a laboratory scale, some kinetic parameters were acquired, which allowed us to build up two dynamic reactors. These continuous reactors, equipped with activated carbon fibers, were tested on the Madeleine station of the Parisian subway. The feasibility of the elimination of H{sub 2}S by continuous adsorption-oxidation was confirmed. The relative humidity of the gas phase was found to play an important role in the performance of the elimination. The durability of the pilot tested was compatible with an industrial exploitation of the process. (authors)

  8. Hydrogen spillover phenomenon: Enhanced reversible hydrogen adsorption/desorption at Ta{sub 2}O{sub 5}-coated Pt electrode in acidic media

    Energy Technology Data Exchange (ETDEWEB)

    Sata, Shunsuke [Department of Electronic Chemistry, Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology, 4259-G1-5 Nagatsuta, Midori-ku, Yokohama 226-8502 (Japan); Awad, Mohamed I.; El-Deab, Mohamed S. [Department of Electronic Chemistry, Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology, 4259-G1-5 Nagatsuta, Midori-ku, Yokohama 226-8502 (Japan); Department of Chemistry, Faculty of Science, Cairo University, Cairo (Egypt); Okajima, Takeyoshi [Department of Electronic Chemistry, Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology, 4259-G1-5 Nagatsuta, Midori-ku, Yokohama 226-8502 (Japan); Ohsaka, Takeo, E-mail: ohsaka@echem.titech.ac.j [Department of Electronic Chemistry, Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology, 4259-G1-5 Nagatsuta, Midori-ku, Yokohama 226-8502 (Japan)

    2010-04-01

    The current study is concerned with the preparation and characterization of tantalum oxide-loaded Pt (TaO{sub x}/Pt) electrodes for hydrogen spillover application. XPS, SEM, EDX and XRD techniques are used to characterize the TaO{sub x}/Pt surfaces. TaO{sub x}/Pt electrodes were prepared by galvanostatic electrodeposition of Ta on Pt from LiF-NaF (60:40 mol%) molten salts containing K{sub 2}TaF{sub 7} (20 wt%) at 800 deg. C and then by annealing in air at various temperatures (200, 400 and 600 deg. C). The thus-fabricated TaO{sub x}/Pt electrodes were compared with the non-annealed Ta/Pt and the unmodified Pt electrodes for the hydrogen adsorption/desorption (H{sub ads}/H{sub des}) reaction. The oxidation of Ta to the stoichiometric oxide (Ta{sub 2}O{sub 5}) increases with increasing the annealing temperature as revealed from XPS and X-ray diffraction (XRD) measurements. The higher the annealing temperature the larger is the enhancement in the H{sub ads}/H{sub des} reaction at TaO{sub x}/Pt electrode. The extraordinary increase in the hydrogen adsorption/desorption at the electrode annealed at 600 deg. C is explained on the basis of a hydrogen spillover-reverse spillover mechanism. The hydrogen adsorption at the TaO{sub x}/Pt electrode is a diffusion-controlled process.

  9. Effectivity of fluoride treatment on hydrogen and corrosion product generation in temporal implants for different magnesium alloys.

    Science.gov (United States)

    Trinidad, Javier; Arruebarrena, Gurutze; Marco, Iñigo; Hurtado, Iñaki; Sáenz de Argandoña, Eneko

    2013-12-01

    The increasing interest on magnesium alloys relies on their biocompatibility, bioabsorbility and especially on their mechanical properties. Due to these characteristics, magnesium alloys are becoming a promising solution to be used, as temporary implants. However, magnesium alloys must overcome their poor corrosion resistance. This article analyses the corrosion behaviour in phosphate-buffered saline solution of three commercial magnesium alloys (AZ31B, WE43 and ZM21) as well as the influence of fluoride treatment on their corrosion behaviour. It is shown that the corrosion rate of all the alloys is decreased by fluoride treatment. However, fluoride treatment affects each alloy differently.

  10. Development of a facility for the recovery of high-purity hydrogen from coke oven gas by pressure swing adsorption

    Energy Technology Data Exchange (ETDEWEB)

    Nakamura, M; Saida, K; Uenoyama, K; Sugishita, M; Imokawa, K

    1985-01-01

    This paper reports 1) a pressure swing adsorption (PSA) system comprising three towers, each packed with three different adsorbents; and 2) studies of the application of this system to the recovery of high-purity hydrogen from coke oven gas. Running the adsorption plant at 35 C and 9.5 kg/cm/sup 2/ gives optimum operating stability and economy. In addition, an optimum time cycle for the three-tower system has been developed. Gas from the PSA equipment proper still contains traces of oxygen. This is removed in a further tower packed with Pd catalyst. The ultimate recovery of hydrogen is closely related to its concentration in the raw coke oven gas and to the degree of purity attained. 3 references.

  11. A three-site Langmuir adsorption model to elucidate the temperature, pressure, and support dependence of the hydrogen coverage on supported Pt particles

    NARCIS (Netherlands)

    Ji, Y.; Koot, V.; van der Eerden, A.M.J.; Weckhuysen, B.M.; Koningsberger, D.C.; Ramaker, D.E.

    2007-01-01

    The three-site adsorption model, previously developed to describe H adsorption on small Pt particles, was used to gain insight into dependence of hydrogen coverage on temperature, pressure, and support ionicity. The three sites, in order of decreasing PtH bond strength, involve H in an atop, a

  12. Atomic-scale study of the adsorption of calcium fluoride on Si(100) at low-coverage regime

    International Nuclear Information System (INIS)

    Chiaravalloti, Franco; Dujardin, Gerald; Riedel, Damien; Pinto, Henry P.; Foster, Adam S.

    2011-01-01

    We investigate, experimentally and theoretically, the initial stage of the formation of Ca/Si and Si/F structures that occurs during the adsorption of CaF 2 molecules onto a bare Si(100) surface heated to 1000 K in a low-coverage regime (0.3 monolayer). A low-temperature (5 K) scanning tunneling microscope (STM) is used to observe the topographies and the electronic properties of the exposed silicon surfaces. Our atomic-scale study reveals that several chemical reactions arise during CaF 2 deposition, such as dissociation of the CaF 2 molecules and etching of the surface silicon dimers. The experimental and calculated STM topographies are compared using the density functional theory, and this comparison enables us to identify two types of reacted structures on the Si(100) surface. The first type of observed complex surface structure consists of large islands formed with a semiperiodic sequence of 3 x 2 unit cells. The second one is made of isolated Ca adatoms adsorbed at specific sites on the Si(100)-2 x 1 surface.

  13. Green Hydrogen Production from Raw Biogas: A Techno-Economic Investigation of Conventional Processes Using Pressure Swing Adsorption Unit

    Directory of Open Access Journals (Sweden)

    Gioele Di Marcoberardino

    2018-02-01

    Full Text Available This paper discusses the techno-economic assessment of hydrogen production from biogas with conventional systems. The work is part of the European project BIONICO, whose purpose is to develop and test a membrane reactor (MR for hydrogen production from biogas. Within the BIONICO project, steam reforming (SR and autothermal reforming (ATR, have been identified as well-known technologies for hydrogen production from biogas. Two biogases were examined: one produced by landfill and the other one by anaerobic digester. The purification unit required in the conventional plants has been studied and modeled in detail, using Aspen Adsorption. A pressure swing adsorption system (PSA with two and four beds and a vacuum PSA (VPSA made of four beds are compared. VPSA operates at sub-atmospheric pressure, thus increasing the recovery: results of the simulations show that the performances strongly depend on the design choices and on the gas feeding the purification unit. The best purity and recovery values were obtained with the VPSA system, which achieves a recovery between 50% and 60% at a vacuum pressure of 0.1 bar and a hydrogen purity of 99.999%. The SR and ATR plants were designed in Aspen Plus, integrating the studied VPSA model, and analyzing the behavior of the systems at the variation of the pressure and the type of input biogas. The SR system achieves a maximum efficiency, calculated on the LHV, of 52% at 12 bar, while the ATR of 28% at 18 bar. The economic analysis determined a hydrogen production cost of around 5 €/kg of hydrogen for the SR case.

  14. Simulation of oxygen-steam gasification with CO{sub 2} adsorption for hydrogen production from empty fruit bunch

    Energy Technology Data Exchange (ETDEWEB)

    Ahmad, M.M.; Inayat, A.; Yusup, S.; Sabil, K.M. [Universiti Teknologi Petronas, Bandar Seri Iskandar, Tronoh (Malaysia). Center of Biofuel and Biochemical, Green Technology Mission Oriented Research

    2011-07-01

    The world is facing a critical situation in which fossil fuel reservoir is depleting while the demand for energy is increasing worldwide. Scientists globally have shifted their effort towards developing alternative sustainable fuels and quite a number of technologies have been discovered. One potential alternative solution is to produce energy from hydrogen as its energy content per kilogram is three times larger than that of gasoline. The combustion of hydrogen produces water instead of greenhouse gases, along with energy, making hydrogen even more attractive as a clean fuel. Current study focuses on the process development of hydrogen production via gasification of Empty Fruit Bunch (EFB) with in-situ adsorption of CO{sub 2} based on equilibrium modeling approach. The process flowsheet simulation is performed using iCON, PETRONAS process simulation software. This work investigates the influence of the temperature within the range of 600 to 1000 C and steam/biomass ratio between 0.1 and 1.0 on the hydrogen yield and product gas composition. The importance of different reactions involved in the system is also discussed. Using the simulation, the optimal operating conditions are predicted to be at 800 C and steam/biomass ratio of 0.6. Hydrogen yield of 149g kg{sup -1} of EFB can be obtained at 1000 C. The preliminary economic potential per annum of the oxygen-steam gasification system coupled with in situ CO{sub 2} adsorption is RM 6.64 x 10{sup 6} or approximately USD 2 x 10{sup 6}.

  15. Hydrogen Adsorption on Ga2O3 Surface: A Combined Experimental and Computational Study

    Energy Technology Data Exchange (ETDEWEB)

    Pan, Yun-xiang; Mei, Donghai; Liu, Chang-jun; Ge, Qingfeng

    2011-05-03

    In the present work, hydrogen adsorption on the Ga2O3 surfaces was investigated using Fourier transform infrared spectroscopy (FTIR) measurements and periodic density functional theory (DFT) calculations. Both the FTIR and DFT studies suggest that H2 dissociates on the Ga2O3 surfaces, producing OH and GaH species. The FTIR bands at 3730, 3700, 3630 and 3600 cm-1 are attributed to the vibration of the OH species whereas those at 2070 and 1990 cm-1 to the GaH species. The structures of the species detected in experiments are established through a comparison with the DFT calculated stretching frequencies. The O atom of the experimentally detected OH species is believed to originate from the surface O3c atom. On the other hand, the H atom that binds the coordinately unsaturated Ga atom results in the experimentally detected GaH species. Dissociation of H2 on the perfect Ga2O3 surface, with the formation of both OH and GaH species, is endothermic and has an energy barrier of 0.90 eV. In contrast, H2 dissociation on the defective Ga2O3 surface with oxygen vacancies, which mainly produces GaH species, is exothermic, with an energy barrier of 0.61 eV. Accordingly, presence of the oxygen vacancies promotes H2 dissociation and production of GaH species on the Ga2O3 surfaces. Higher temperatures are expected to favor oxygen vacancy creation on the Ga2O3 surfaces, and thereby benefit the production of GaH species. This analysis is consistent with the FTIR results that the bands assigned to GaH species become stronger at higher temperatures. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

  16. Comparison of reactivity on step and terrace sites of Pd (3 3 2) surface for the dissociative adsorption of hydrogen: A quantum chemical molecular dynamics study

    International Nuclear Information System (INIS)

    Ahmed, Farouq; Nagumo, Ryo; Miura, Ryuji; Ai, Suzuki; Tsuboi, Hideyuki; Hatakeyama, Nozomu; Endou, Akira; Takaba, Hiromitsu; Kubo, Momoji; Miyamoto, Akira

    2011-01-01

    The notion of 'active sites' is fundamental to heterogeneous catalysis. However, the exact nature of the active sites, and hence the mechanism by which they act, are still largely a matter of speculation. In this study, we have presented a systematic quantum chemical molecular dynamics (QCMD) calculations for the interaction of hydrogen on different step and terrace sites of the Pd (3 3 2) surface. Finally the dissociative adsorption of hydrogen on step and terrace as well as the influence of surface hydrogen vacancy for the dissociative adsorption of hydrogen has been investigated through QCMD. This is a state-of-the-art method for calculating the interaction of atoms and molecules with metal surfaces. It is found that fully hydrogen covered (saturated) step sites can dissociate hydrogen moderately and that a monovacancy surface is suitable for significant dissociative adsorption of hydrogen. However in terrace site of the surface we have found that dissociation of hydrogen takes place only on Pd sites where the metal atom is not bound to any pre-adsorbed hydrogen atoms. Furthermore, from the molecular dynamics and electronic structure calculations, we identify a number of consequences for the interpretation and modeling of diffusion experiments demonstrating the coverage and directional dependence of atomic hydrogen diffusion on stepped palladium surface.

  17. Enhanced reactive adsorption of hydrogen sulfide on the composites of graphene/graphite oxide with copper (hydr)oxychlorides.

    Science.gov (United States)

    Mabayoje, Oluwaniyi; Seredych, Mykola; Bandosz, Teresa J

    2012-06-27

    Composites of copper (hydr)oxychlorides with graphite oxide or graphene were synthesized and used as adsorbents of hydrogen sulfide at dynamic conditions at ambient temperatures. The materials were extensively characterized before and after adsorption in order to link their performance to the surface features. X-ray diffraction, FTIR, thermal analysis, TEM, SEM/EDX, and adsorption of nitrogen were used. It was found that the composite with graphene has the most favorable surface features enhancing reactive adsorption of hydrogen sulfide. The presence of moisture in the H2S stream has a positive effect on the removal process owing to the dissociation process. H2S is retained on the surface via a direct replacement of OH groups and via acid-base reactions with the copper (hydr)oxide. Highly dispersed reduced copper species on the surface of the composite with graphene enhance activation of oxygen and cause formation of sulfites and sulfates. Higher conductivity of the graphene phase than that of graphite oxide helps in electron transfer in redox reactions.

  18. Effects of buffer agents on hydrogen adsorption and desorption at/within activated carbon for the negative electrode of aqueous asymmetric supercapacitors

    International Nuclear Information System (INIS)

    Chien, Hsiu-Chuan; Wu, Tzu-Ho; Rajkumar, Muniyandi; Hu, Chi-Chang

    2016-01-01

    Highlights: • H adsorption causes local pH increase and negatively shifts the double-layer potential window. • The local pH variation at AC/electrolyte interface can be controlled via adding buffer agents. • H adsorption potential on AC in buffer electrolytes follows the Nernstian dependence. • The pseudocapacitive reversibility of H adsorption/desorption at/within AC is too poor. - Abstract: In this work, the effects of adding buffer agents into aqueous electrolytes on the hydrogen adsorption/desorption behaviour at/within activated carbon are systematically investigated for the negative electrode of asymmetric supercapacitors. Due to the poor electrochemical reversibility of hydrogen adsorption/desorption at/within activated carbon, the hydrogen responses at/within activated carbon are not suitable for pseudo-capacitive energy storage of high-performance asymmetric supercapacitor. The electrochemical adsorption of H atoms consumes protons and causes the local pH change at the activated carbon/electrolyte interface, leading to the negative shift in the H adsorption potential when weakly acidic, neutral, and weakly basic electrolytes without buffer agents are employed. The addition of buffer agents into electrolytes significantly improves the rate of proton supply and promotes the rate of hydrogen adsorption at/within AC. Interestingly, the onset potential of significant H adsorption obtained from the buffered electrolytes generally follows the Nernstian dependence, suggesting the Nerstian dependence of H"+/H_a_d_s on AC at all pH values. In order to obtain the energy storage devices with high coulombic and energy efficiencies, the onset potential of significant H adsorption obtained from the electrolyte containing buffer agents is a reliable lower potential limit of the AC-coated negative electrode for aqueous asymmetric supercapacitors.

  19. Influence of hydrogen bond accepting ability of anions on the adsorption performance of ionic liquid surface molecularly imprinted polymers.

    Science.gov (United States)

    Zhu, Guifen; Gao, Xia; Wang, Xiaolong; Wang, Jianji; Fan, Jing

    2018-01-12

    To illuminate the influence mechanism of anionic structure of ionic liquids (ILs) on the adsorption performance of surface molecularly imprinted polymers (MIPs), in this work, six newly designed MIPs were prepared on the surface of amino-poly(styrene-divinylbenzene) particles by using imidazolium ILs with the same cation [C 4 mim] + but different anions (Cl, CH 3 SO 3 , PF 6 , BF 4 , C 4 F 7 O 2 , C 4 F 9 SO 3 ) as template molecules, methacrylic acid as functional monomer, and ethylene dimethacrylate as cross-linker. The resulting MIP materials were characterized by IR and SEM, and the influence of hydrogen bond accepting ability of anions on the adsorption performance of the MIPs for the ILs was investigated in acetonitrile. It was found that adsorption capacity of the MIPs towards the ILs decreased in the order MIP [C4mim][Cl]  > MIP [C4mim][C4F7O2]  ≥ MIP [C4mim][BF4] and MIP [C4mim][CH3SO3]  > MIP [C4mim][C4F9SO3]  > MIP [C4mim][PF6] , which is in good agreement with the ability of anions of the ILs to form hydrogen bonds. Ultraviolet, 1 H-NMR and 35 Cl-NMR spectroscopy was then used to study the interactions of anions of the ILs with the functional monomer. It was found that the hydrogen bond interaction between anions of the ILs and acidic proton of the functional monomer was the main driving force for the high adsorption selectivity of the imprinted polymers, and the stronger hydrogen bond interaction indicates higher binding capacity and higher selectivity of the polymers towards the ILs. It was also verified that the ILs with stronger hydrogen bond accepting ability of anions could be selectively extracted by the corresponding IL-MIPs. These results may provide new insight into the recognition mechanism of MIPs for ILs, and are also useful for the rational design of this new class of imprinting materials. Copyright © 2017 Elsevier B.V. All rights reserved.

  20. Scaling properties of adsorption energies for hydrogen-containing molecules on transition-metal surfaces

    DEFF Research Database (Denmark)

    Abild-Pedersen, Frank; Greeley, Jeffrey Philip; Studt, Felix

    2007-01-01

    Density functional theory calculations are presented for CHx, x=0,1,2,3, NHx, x=0,1,2, OHx, x=0,1, and SHx, x=0,1 adsorption on a range of close-packed and stepped transition-metal surfaces. We find that the adsorption energy of any of the molecules considered scales approximately with the adsorp...

  1. Effect of active zinc oxide dispersion on reduced graphite oxide for hydrogen sulfide adsorption at mid-temperature

    Energy Technology Data Exchange (ETDEWEB)

    Song, Hoon Sub [Department of Chemical Engineering, University of Waterloo, 200 University Avenue West, Waterloo, Ontario, N2L3G1 (Canada); Greenhouse Gas Department, Korea Institute of Energy Research, 152 Gajeong-ro, Yuseong-gu, Daejeon, 305-343 (Korea, Republic of); Park, Moon Gyu [Department of Chemical Engineering Education, Chungnam National University, 99 Daehak-ro, Yuseong-gu, Daejeon, 305-764 (Korea, Republic of); Croiset, Eric, E-mail: ecroiset@uwaterloo.ca [Department of Chemical Engineering, University of Waterloo, 200 University Avenue West, Waterloo, Ontario, N2L3G1 (Canada); Chen, Zhongwei [Department of Chemical Engineering, University of Waterloo, 200 University Avenue West, Waterloo, Ontario, N2L3G1 (Canada); Nam, Sung Chan; Ryu, Ho-Jung [Greenhouse Gas Department, Korea Institute of Energy Research, 152 Gajeong-ro, Yuseong-gu, Daejeon, 305-343 (Korea, Republic of); Yi, Kwang Bok, E-mail: cosy32@cnu.ac.kr [Department of Chemical Engineering Education, Chungnam National University, 99 Daehak-ro, Yuseong-gu, Daejeon, 305-764 (Korea, Republic of)

    2013-09-01

    Composites of Zinc oxide (ZnO) with reduced graphite oxide (rGO) were synthesized and used as adsorbents for hydrogen sulfide (H{sub 2}S) at 300 °C. Various characterization methods (TGA, XRD, FT-IR, TEM and XPS) were performed in order to link their H{sub 2}S adsorption performance to the properties of the adsorbent's surface. Microwave-assisted reduction process of graphite oxide (GO) provided mild reduction environment, allowing oxygen-containing functional groups to remain on the rGO surface. It was confirmed that for the ZnO/rGO synthesize using the microwave-assisted reduction method, the ZnO particle size and the degree of ZnO dispersion remained stable over time at 300 °C, which was not the case for only the ZnO particles themselves. This stable highly dispersed feature allows for sustained high surface area over time. This was confirmed through breakthrough experiments for H{sub 2}S adsorption where it was found that the ZnO/rGO composite showed almost four times higher ZnO utilization efficiency than ZnO itself. The effect of the H{sub 2} and CO{sub 2} on H{sub 2}S adsorption was also investigated. The presence of hydrogen in the H{sub 2}S stream had a positive effect on the removal of H{sub 2}S since it allows a reducing environment for Zn-O and Zn-S bonds, leading to more active sites (Zn{sup 2+}) to sulfur molecules. On the other hand, the presence of carbon dioxide (CO{sub 2}) showed the opposite trend, likely due to the oxidation environment and also due to possible competitive adsorption between H{sub 2}S and CO{sub 2}.

  2. Effect of active zinc oxide dispersion on reduced graphite oxide for hydrogen sulfide adsorption at mid-temperature

    Science.gov (United States)

    Song, Hoon Sub; Park, Moon Gyu; Croiset, Eric; Chen, Zhongwei; Nam, Sung Chan; Ryu, Ho-Jung; Yi, Kwang Bok

    2013-09-01

    Composites of Zinc oxide (ZnO) with reduced graphite oxide (rGO) were synthesized and used as adsorbents for hydrogen sulfide (H2S) at 300 °C. Various characterization methods (TGA, XRD, FT-IR, TEM and XPS) were performed in order to link their H2S adsorption performance to the properties of the adsorbent's surface. Microwave-assisted reduction process of graphite oxide (GO) provided mild reduction environment, allowing oxygen-containing functional groups to remain on the rGO surface. It was confirmed that for the ZnO/rGO synthesize using the microwave-assisted reduction method, the ZnO particle size and the degree of ZnO dispersion remained stable over time at 300 °C, which was not the case for only the ZnO particles themselves. This stable highly dispersed feature allows for sustained high surface area over time. This was confirmed through breakthrough experiments for H2S adsorption where it was found that the ZnO/rGO composite showed almost four times higher ZnO utilization efficiency than ZnO itself. The effect of the H2 and CO2 on H2S adsorption was also investigated. The presence of hydrogen in the H2S stream had a positive effect on the removal of H2S since it allows a reducing environment for Znsbnd O and Znsbnd S bonds, leading to more active sites (Zn2+) to sulfur molecules. On the other hand, the presence of carbon dioxide (CO2) showed the opposite trend, likely due to the oxidation environment and also due to possible competitive adsorption between H2S and CO2.

  3. Effect of active zinc oxide dispersion on reduced graphite oxide for hydrogen sulfide adsorption at mid-temperature

    International Nuclear Information System (INIS)

    Song, Hoon Sub; Park, Moon Gyu; Croiset, Eric; Chen, Zhongwei; Nam, Sung Chan; Ryu, Ho-Jung; Yi, Kwang Bok

    2013-01-01

    Composites of Zinc oxide (ZnO) with reduced graphite oxide (rGO) were synthesized and used as adsorbents for hydrogen sulfide (H 2 S) at 300 °C. Various characterization methods (TGA, XRD, FT-IR, TEM and XPS) were performed in order to link their H 2 S adsorption performance to the properties of the adsorbent's surface. Microwave-assisted reduction process of graphite oxide (GO) provided mild reduction environment, allowing oxygen-containing functional groups to remain on the rGO surface. It was confirmed that for the ZnO/rGO synthesize using the microwave-assisted reduction method, the ZnO particle size and the degree of ZnO dispersion remained stable over time at 300 °C, which was not the case for only the ZnO particles themselves. This stable highly dispersed feature allows for sustained high surface area over time. This was confirmed through breakthrough experiments for H 2 S adsorption where it was found that the ZnO/rGO composite showed almost four times higher ZnO utilization efficiency than ZnO itself. The effect of the H 2 and CO 2 on H 2 S adsorption was also investigated. The presence of hydrogen in the H 2 S stream had a positive effect on the removal of H 2 S since it allows a reducing environment for Zn-O and Zn-S bonds, leading to more active sites (Zn 2+ ) to sulfur molecules. On the other hand, the presence of carbon dioxide (CO 2 ) showed the opposite trend, likely due to the oxidation environment and also due to possible competitive adsorption between H 2 S and CO 2 .

  4. Adsorption of hydrogen isotopes by metals in non-equilibrium conditions

    International Nuclear Information System (INIS)

    Livshits, A.I.; Notkin, M.E.; Pustovojt, Yu.M.

    1982-01-01

    To study the interaction of thermonuclear plasma and additions with metallic walls, nonequilibrium system of thermal atomary hydrogen - ''cold'' (300-1100 K) metal is experimentally investigated. Atomary hydrogen was feeded to samples of Ni and Pd in the shape of atomic beam, coming into vacuum from high-frequency gaseous discharge. It is shown that hydrogen solubility under nonequilibrium conditions increases with surface passivation (contamination); in this case it surpasses equilibrium solubility by value orders. Nickel and iron dissolve more hydrogen than palladium at a certain state of surface ( passivation) and gas (atomary hydrogen). The sign of the temperature dependence of hydrogen solubility in passivated N 1 and Fe changes when alterating molecular hydrogen by atomary hydrogen

  5. Thermally moderated hollow fiber sorbent modules in rapidly cycled pressure swing adsorption mode for hydrogen purification

    KAUST Repository

    Lively, Ryan P.; Bessho, Naoki; Bhandari, Dhaval A.; Kawajiri, Yoshiaki; Koros, William J.

    2012-01-01

    We describe thermally moderated multi-layered pseudo-monolithic hollow fiber sorbents entities, which can be packed into compact modules to provide small-footprint, efficient H2 purification/CO2 removal systems for use in on-site steam methane reformer product gas separations. Dual-layer hollow fibers are created via dry-jet, wet-quench spinning with an inner "active" core of cellulose acetate (porous binder) and zeolite NaY (69 wt% zeolite NaY) and an external sheath layer of pure cellulose acetate. The co-spun sheath layer reduces the surface porosity of the fiber and was used as a smooth coating surface for a poly(vinyl-alcohol) post-treatment, which reduced the gas permeance through the fiber sorbent by at least 7 orders of magnitude, essentially creating an impermeable sheath layer. The interstitial volume between the individual fibers was filled with a thermally-moderating paraffin wax. CO2 breakthrough experiments on the hollow fiber sorbent modules with and without paraffin wax revealed that the "passively" cooled paraffin wax module had 12.5% longer breakthrough times than the "non-isothermal" module. The latent heat of fusion/melting of the wax offsets the released latent heat of sorption/desorption of the zeolites. One-hundred rapidly cycled pressure swing adsorption cycles were performed on the "passively" cooled hollow fiber sorbents using 25 vol% CO2/75 vol% He (H2 surrogate) at 60 °C and 113 psia, resulting in a product purity of 99.2% and a product recovery of 88.1% thus achieving process conditions and product quality comparable to conventional pellet processes. Isothermal and non-isothermal dynamic modeling of the hollow fiber sorbent module and a traditional packed bed using gPROMS® indicated that the fiber sorbents have sharper fronts (232% sharper) and longer adsorbate breakthrough times (66% longer), further confirming the applicability of the new fiber sorbent approach for H2 purification. © 2012, Hydrogen Energy Publications, LLC

  6. Thermally moderated hollow fiber sorbent modules in rapidly cycled pressure swing adsorption mode for hydrogen purification

    KAUST Repository

    Lively, Ryan P.

    2012-10-01

    We describe thermally moderated multi-layered pseudo-monolithic hollow fiber sorbents entities, which can be packed into compact modules to provide small-footprint, efficient H2 purification/CO2 removal systems for use in on-site steam methane reformer product gas separations. Dual-layer hollow fibers are created via dry-jet, wet-quench spinning with an inner "active" core of cellulose acetate (porous binder) and zeolite NaY (69 wt% zeolite NaY) and an external sheath layer of pure cellulose acetate. The co-spun sheath layer reduces the surface porosity of the fiber and was used as a smooth coating surface for a poly(vinyl-alcohol) post-treatment, which reduced the gas permeance through the fiber sorbent by at least 7 orders of magnitude, essentially creating an impermeable sheath layer. The interstitial volume between the individual fibers was filled with a thermally-moderating paraffin wax. CO2 breakthrough experiments on the hollow fiber sorbent modules with and without paraffin wax revealed that the "passively" cooled paraffin wax module had 12.5% longer breakthrough times than the "non-isothermal" module. The latent heat of fusion/melting of the wax offsets the released latent heat of sorption/desorption of the zeolites. One-hundred rapidly cycled pressure swing adsorption cycles were performed on the "passively" cooled hollow fiber sorbents using 25 vol% CO2/75 vol% He (H2 surrogate) at 60 °C and 113 psia, resulting in a product purity of 99.2% and a product recovery of 88.1% thus achieving process conditions and product quality comparable to conventional pellet processes. Isothermal and non-isothermal dynamic modeling of the hollow fiber sorbent module and a traditional packed bed using gPROMS® indicated that the fiber sorbents have sharper fronts (232% sharper) and longer adsorbate breakthrough times (66% longer), further confirming the applicability of the new fiber sorbent approach for H2 purification. © 2012, Hydrogen Energy Publications, LLC

  7. Semiempirical quantum model approach for hydrogen adsorption in ZrNi alloys

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Bin-Hao, E-mail: binhao17@gmail.com [Department of Energy Application Engineering, Far East University, No. 49, Zhonghua Rd., Xinshi Dist., Tainan City 74448, Taiwan, ROC (China); Huang, Chien-Chung [Department of Hydrogen Energy and Fuel Cells, Green Energy and Eco-Technology Center, ITRI, No. 49, Zhonghua Rd., Xinshi Dist., Tainan City 74448, Taiwan, ROC (China); Yeh, Yen-Lian; Jang, Ming-Jyi [Department of Automation and Control Engineering, Far East University, No. 49, Zhonghua Rd., Xinshi Dist., Tainan City 74448, Taiwan, ROC (China)

    2013-12-15

    Highlights: •The hydrogen diffusion behavior in solid ZrNi alloy performs clearly by MD. •Shear and Young’s modulus agree with the experiment study very well. •Current model can apply to hydrogen-tech material development. -- Abstract: Hydrogen storage is an important topic because of its relevance to the future energy economy. Hydrogen diffusivity in materials plays an important role in hydrogen technology both for hydrogen separation and hydrogen storage. To clarify the mechanism of the rate-controlling step, diffusion mechanism of hydrogen in metallic materials is studied by molecular dynamics method. This study performs semi-empirical-quantum molecular dynamic simulations in order to clarify hydrogen atom diffusion behavior in ZrNi alloys materials. We investigate the mechanical properties change associated with temperature variation for ZrNi base alloys and also consider the influence of materials micro-structure change of hydrogen diffusion. Finally, current work presents a theoretically prediction of dynamical diffusion coefficient to compare diffusion kinetics of crystalline and amorphous structure.

  8. First Principles Study of Adsorption of Hydrogen on Typical Alloying Elements and Inclusions in Molten 2219 Al Alloy

    Directory of Open Access Journals (Sweden)

    Yu Liu

    2017-07-01

    Full Text Available To better understand the effect of the components of molten 2219 Al alloy on the hydrogen content dissolved in it, the H adsorption on various positions of alloying element clusters of Cu, Mn and Al, as well as the inclusion of Al2O3, MgO and Al4C3, were investigated by means of first principles calculation, and the thermodynamic stability of H adsorbed on each possible site was also studied on the basis of formation energy. Results show that the interaction between Al, MgO, Al4C3 and H atoms is mainly repulsive and energetically unfavorable; a favorable interaction between Cu, Mn, Al2O3 and H atoms was determined, with H being more likely to be adsorbed on the top of the third atomic layer of Cu(111, the second atomic layer of Mn(111, and the O atom in the third atomic layer of Al2O3, compared with other sites. It was found that alloying elements Cu and Mn and including Al2O3 may increase the hydrogen adsorption in the molten 2219 Al alloy with Al2O3 being the most sensitive component in this regard.

  9. A COMPREHENSIVE STUDY OF HYDROGEN ADSORBING TO AMORPHOUS WATER ICE: DEFINING ADSORPTION IN CLASSICAL MOLECULAR DYNAMICS

    Energy Technology Data Exchange (ETDEWEB)

    Dupuy, John L.; Lewis, Steven P.; Stancil, P. C. [Department of Physics and Astronomy and the Center for Simulational Physics, University of Georgia, Athens, GA 30602 (United States)

    2016-11-01

    Gas–grain and gas–phase reactions dominate the formation of molecules in the interstellar medium (ISM). Gas–grain reactions require a substrate (e.g., a dust or ice grain) on which the reaction is able to occur. The formation of molecular hydrogen (H{sub 2}) in the ISM is the prototypical example of a gas–grain reaction. In these reactions, an atom of hydrogen will strike a surface, stick to it, and diffuse across it. When it encounters another adsorbed hydrogen atom, the two can react to form molecular hydrogen and then be ejected from the surface by the energy released in the reaction. We perform in-depth classical molecular dynamics simulations of hydrogen atoms interacting with an amorphous water-ice surface. This study focuses on the first step in the formation process; the sticking of the hydrogen atom to the substrate. We find that careful attention must be paid in dealing with the ambiguities in defining a sticking event. The technical definition of a sticking event will affect the computed sticking probabilities and coefficients. Here, using our new definition of a sticking event, we report sticking probabilities and sticking coefficients for nine different incident kinetic energies of hydrogen atoms [5–400 K] across seven different temperatures of dust grains [10–70 K]. We find that probabilities and coefficients vary both as a function of grain temperature and incident kinetic energy over the range of 0.99–0.22.

  10. Characterization of narrow micropores in almond shell biochars by nitrogen, carbon dioxide, and hydrogen adsorption

    Science.gov (United States)

    Characterization of biochars usually includes surface area and pore volume determination by nitrogen adsorption. In this study, we show that there is a substantial pore volume in biochars created via slow pyrolysis from low- and high-ash almond shells that cannot be characterized in this fashion due...

  11. Pore size distribution and supercritical hydrogen adsorption in activated carbon fibers

    Science.gov (United States)

    Purewal, J. J.; Kabbour, H.; Vajo, J. J.; Ahn, C. C.; Fultz, B.

    2009-05-01

    Pore size distributions (PSD) and supercritical H2 isotherms have been measured for two activated carbon fiber (ACF) samples. The surface area and the PSD both depend on the degree of activation to which the ACF has been exposed. The low-surface-area ACF has a narrow PSD centered at 0.5 nm, while the high-surface-area ACF has a broad distribution of pore widths between 0.5 and 2 nm. The H2 adsorption enthalpy in the zero-coverage limit depends on the relative abundance of the smallest pores relative to the larger pores. Measurements of the H2 isosteric adsorption enthalpy indicate the presence of energy heterogeneity in both ACF samples. Additional measurements on a microporous, coconut-derived activated carbon are presented for reference.

  12. Pore size distribution and supercritical hydrogen adsorption in activated carbon fibers

    International Nuclear Information System (INIS)

    Purewal, J J; Kabbour, H; Ahn, C C; Fultz, B; Vajo, J J

    2009-01-01

    Pore size distributions (PSD) and supercritical H 2 isotherms have been measured for two activated carbon fiber (ACF) samples. The surface area and the PSD both depend on the degree of activation to which the ACF has been exposed. The low-surface-area ACF has a narrow PSD centered at 0.5 nm, while the high-surface-area ACF has a broad distribution of pore widths between 0.5 and 2 nm. The H 2 adsorption enthalpy in the zero-coverage limit depends on the relative abundance of the smallest pores relative to the larger pores. Measurements of the H 2 isosteric adsorption enthalpy indicate the presence of energy heterogeneity in both ACF samples. Additional measurements on a microporous, coconut-derived activated carbon are presented for reference.

  13. Hydrogen adsorption and storage on Palladium – functionalized graphene with NH-dopant: A first principles calculation

    Energy Technology Data Exchange (ETDEWEB)

    Faye, Omar, E-mail: omf071@mail.usask.ca [Department of Mechanical Engineering, College of Engineering, University of Saskatchewan, 57 Campus Drive, Saskatoon, S7N 5A9 Saskatchewan (Canada); Department of Condensed Matter Physics, Cheikh Anta Diop University, Dakar (Senegal); Szpunar, Jerzy A; Szpunar, Barbara [Department of Mechanical Engineering, College of Engineering, University of Saskatchewan, 57 Campus Drive, Saskatoon, S7N 5A9 Saskatchewan (Canada); Beye, Aboubaker Chedikh [Department of Condensed Matter Physics, Cheikh Anta Diop University, Dakar (Senegal)

    2017-01-15

    Highlights: • H{sub 2} adsorption in single and double-sided Pd-G(3x3) and the effect of NH radical on graphene were studied. • Strong interaction of Pd and graphene in double-sided Pd-G(3x3) than that in the single-sided Pd-G(3x3). • The storage capacity was 3.622 wt% with a binding energy of 0.658 eV/H2. • The increase of NH radicals on Pd-G(3x3) enhanced the binding of Pd atoms on the graphene sheet. • We predicted that 2NH-dopant at the opposite site of Pd atoms prevents the desorption of Pd atom from graphene sheet. - Abstract: We conducted a detailed theoretical investigation of the structural and electronic properties of single and double sided Pd-functionalized graphene and NH-doped Pd-functionalized graphene, which are shown to be efficient materials for hydrogen storage. Nitrene radical dopant was an effective addition required for enhancing the Pd binding on the graphene sheet as well as the storage of hydrogen. We found that up to eight H{sub 2} molecules could be adsorbed by double-sided Pd-functionalized graphene at 0 K with an average binding energy in the range 1.315–0.567 eVA gravimetric hydrogen density of 3.622 wt% was reached in the Pd-functionalized graphene on both sides. The binding mechanism of H{sub 2} molecules came not only the polarization mechanism between Pd and H atoms but also from the binding of the Pd atoms on the graphene sheet and the orbital hybridization. The most crucial part of our work is measuring the effect of nitrene radical on the H{sub 2} adsorption on Pd-functionalized graphene. Our calculations predicted that the addition of NH radicals on Pd-functionalized graphene enhance the binding of H{sub 2} molecules, which helps also to avoid the desorption of Pd(H{sub 2}){sub n} (n = 1–5) complexes from graphene sheet. Our results also predict Pd-functionalized NH-doped graphene is a potential hydrogen storage medium for on-board applications.

  14. Hydrogen adsorption and storage on Palladium – functionalized graphene with NH-dopant: A first principles calculation

    International Nuclear Information System (INIS)

    Faye, Omar; Szpunar, Jerzy A; Szpunar, Barbara; Beye, Aboubaker Chedikh

    2017-01-01

    Highlights: • H_2 adsorption in single and double-sided Pd-G(3x3) and the effect of NH radical on graphene were studied. • Strong interaction of Pd and graphene in double-sided Pd-G(3x3) than that in the single-sided Pd-G(3x3). • The storage capacity was 3.622 wt% with a binding energy of 0.658 eV/H2. • The increase of NH radicals on Pd-G(3x3) enhanced the binding of Pd atoms on the graphene sheet. • We predicted that 2NH-dopant at the opposite site of Pd atoms prevents the desorption of Pd atom from graphene sheet. - Abstract: We conducted a detailed theoretical investigation of the structural and electronic properties of single and double sided Pd-functionalized graphene and NH-doped Pd-functionalized graphene, which are shown to be efficient materials for hydrogen storage. Nitrene radical dopant was an effective addition required for enhancing the Pd binding on the graphene sheet as well as the storage of hydrogen. We found that up to eight H_2 molecules could be adsorbed by double-sided Pd-functionalized graphene at 0 K with an average binding energy in the range 1.315–0.567 eVA gravimetric hydrogen density of 3.622 wt% was reached in the Pd-functionalized graphene on both sides. The binding mechanism of H_2 molecules came not only the polarization mechanism between Pd and H atoms but also from the binding of the Pd atoms on the graphene sheet and the orbital hybridization. The most crucial part of our work is measuring the effect of nitrene radical on the H_2 adsorption on Pd-functionalized graphene. Our calculations predicted that the addition of NH radicals on Pd-functionalized graphene enhance the binding of H_2 molecules, which helps also to avoid the desorption of Pd(H_2)_n (n = 1–5) complexes from graphene sheet. Our results also predict Pd-functionalized NH-doped graphene is a potential hydrogen storage medium for on-board applications.

  15. Nanoporous spongy graphene: Potential applications for hydrogen adsorption and selective gas separation

    Energy Technology Data Exchange (ETDEWEB)

    Kostoglou, Nikolaos, E-mail: nikolaos.kostoglou@stud.unileoben.ac.at [Department of Mechanical and Manufacturing Engineering, University of Cyprus, 1678 Nicosia (Cyprus); Department of Physical Metallurgy and Materials Testing, Montanuniversität Leoben, 8700 Leoben (Austria); Constantinides, Georgios [Research Unit for Nanostructured Materials Systems, Department of Mechanical Engineering and Materials Science and Engineering, Cyprus University of Technology, 3036 Lemesos (Cyprus); Charalambopoulou, Georgia; Steriotis, Theodore [National Center for Scientific Research Demokritos, Agia Paraskevi Attikis, 15310 Athens (Greece); Polychronopoulou, Kyriaki [Department of Mechanical Engineering, Khalifa University of Science, Technology and Research, Abu Dhabi (United Arab Emirates); Li, Yuanqing; Liao, Kin [Department of Aerospace Engineering, Khalifa University of Science, Technology and Research, Abu Dhabi (United Arab Emirates); Ryzhkov, Vladislav [Nanotube Production Department, Fibrtec Incorporation, TX, 75551 Atlanta (United States); Mitterer, Christian [Department of Physical Metallurgy and Materials Testing, Montanuniversität Leoben, 8700 Leoben (Austria); Rebholz, Claus, E-mail: claus@ucy.ac.cy [Department of Mechanical and Manufacturing Engineering, University of Cyprus, 1678 Nicosia (Cyprus)

    2015-12-01

    In the present work, a nanoporous (pore width ~ 0.7 nm) graphene-based sponge-like material with large surface area (~ 350 m{sup 2}/g) was synthesized by wet chemical reduction of graphene oxide in combination with freeze-drying. Surface morphology and elemental composition were studied by scanning and transmission electron microscopy combined with energy dispersive X-ray spectroscopy. Surface chemistry was qualitatively examined by Fourier-transform infrared spectroscopy, while the respective structure was investigated by X-ray diffraction analysis. Textural properties, including Brunauer–Emmet–Teller (BET) surface area, micropore volume and surface area as well as pore size distribution, were deduced from nitrogen gas adsorption/desorption data obtained at 77 K and up to 1 bar. Potential use of the spongy graphene for gas storage and separation applications was preliminarily assessed by low-pressure (0–1 bar) H{sub 2}, CO{sub 2} and CH{sub 4} sorption measurements at different temperatures (77, 273 and 298 K). The adsorption capacities for each gas were evaluated up to ~ 1 bar, the isosteric enthalpies of adsorption for CO{sub 2} (28–33 kJ/mol) and CH{sub 4} (30–38 kJ/mol) were calculated using the Clausius–Clapeyron equation, while the CO{sub 2}/CH{sub 4} gas selectivity (up to 95:1) was estimated using the Ideal Adsorbed Solution Theory (IAST). - Highlights: • Nanoporous sponge produced by chemical reduction of graphene oxide and freeze-drying • Characterization performed using SEM, EDS, TEM, FT-IR, BET and XRD methods • Gas storage performance evaluated towards H{sub 2}, CO{sub 2} and CH{sub 4} adsorption up to 1 bar • CO{sub 2} over CH{sub 4} gas selectivity estimated between 45 and 95 at 273 K using the IAST model.

  16. Nanoporous spongy graphene: Potential applications for hydrogen adsorption and selective gas separation

    International Nuclear Information System (INIS)

    Kostoglou, Nikolaos; Constantinides, Georgios; Charalambopoulou, Georgia; Steriotis, Theodore; Polychronopoulou, Kyriaki; Li, Yuanqing; Liao, Kin; Ryzhkov, Vladislav; Mitterer, Christian; Rebholz, Claus

    2015-01-01

    In the present work, a nanoporous (pore width ~ 0.7 nm) graphene-based sponge-like material with large surface area (~ 350 m"2/g) was synthesized by wet chemical reduction of graphene oxide in combination with freeze-drying. Surface morphology and elemental composition were studied by scanning and transmission electron microscopy combined with energy dispersive X-ray spectroscopy. Surface chemistry was qualitatively examined by Fourier-transform infrared spectroscopy, while the respective structure was investigated by X-ray diffraction analysis. Textural properties, including Brunauer–Emmet–Teller (BET) surface area, micropore volume and surface area as well as pore size distribution, were deduced from nitrogen gas adsorption/desorption data obtained at 77 K and up to 1 bar. Potential use of the spongy graphene for gas storage and separation applications was preliminarily assessed by low-pressure (0–1 bar) H_2, CO_2 and CH_4 sorption measurements at different temperatures (77, 273 and 298 K). The adsorption capacities for each gas were evaluated up to ~ 1 bar, the isosteric enthalpies of adsorption for CO_2 (28–33 kJ/mol) and CH_4 (30–38 kJ/mol) were calculated using the Clausius–Clapeyron equation, while the CO_2/CH_4 gas selectivity (up to 95:1) was estimated using the Ideal Adsorbed Solution Theory (IAST). - Highlights: • Nanoporous sponge produced by chemical reduction of graphene oxide and freeze-drying • Characterization performed using SEM, EDS, TEM, FT-IR, BET and XRD methods • Gas storage performance evaluated towards H_2, CO_2 and CH_4 adsorption up to 1 bar • CO_2 over CH_4 gas selectivity estimated between 45 and 95 at 273 K using the IAST model

  17. On the nature of gallium species in gallium-modified mordenite and MFI zeolites. A comparative DRIFT study of carbon monoxide adsorption and hydrogen dissociation.

    Science.gov (United States)

    Serykh, Alexander I; Kolesnikov, Stanislav P

    2011-04-21

    The results of a DRIFT study of carbon monoxide molecular adsorption and hydrogen dissociative adsorption on gallium-modified mordenite and MFI (ZSM-5) zeolites are presented. It was found that in the reduced gallium-modified mordenite (Ga-MOR) both Ga(3+) and Ga(+) exchanged cations are present and can be detected by CO adsorption. Ga(3+) cations in Ga-MOR dissociatively adsorb molecular hydrogen at elevated temperatures, resulting in the formation of gallium hydride species and acidic hydroxyl groups. In the reduced Ga-MFI evacuated at 823 K under medium vacuum conditions only Ga(+) exchanged intrazeolite cations were detected. It was found, however, that Ga(3+) intrazeolite exchanged cations which form upon high-temperature disproportionation of Ga(+) cations in the reduced Ga-MFI and Ga-MOR can be stabilized by high-temperature oxidation of these zeolites.

  18. Adsorption of alcohols and fatty acids onto hydrogenated (a-C:H) DLC coatings

    Science.gov (United States)

    Simič, R.; Kalin, M.; Kovač, J.; Jakša, G.

    2016-02-01

    Information about the interactions between lubricants and DLC coatings is scarce, despite there having been many studies over the years. In this investigation we used ToF-SIMS, XPS and contact-angle analyses to examine the adsorption ability and mechanisms with respect to two oiliness additives, i.e., hexadecanol and hexadecanoic acid, on an a-C:H coating. In addition, we analyzed the resistance of the adsorbed films to external influences like solvent cleaning. The results show that both molecules adsorb onto surface oxides and hydroxides present on the initial DLC surface and shield these structures with their hydrocarbon tails. This makes the surfaces less polar, which is manifested in a smaller polar component of the surface energy. We also showed that ultrasonic cleaning in heptane has no significant effect on the quantity of adsorbed molecules or on their chemical state. This not only shows the relatively strong adsorption of these molecules, but also provides useful information for future experimental work. Of the two examined molecules, the acid showed a greater adsorption ability than the alcohol, which explains some of the previously reported better tribological properties in the case of the acid with respect to the alcohol.

  19. Techno-economic assessment of biogas plant upgrading by adsorption of hydrogen sulfide on treated sewage–sludge

    International Nuclear Information System (INIS)

    Aguilera, P.G.; Gutiérrez Ortiz, F.J.

    2016-01-01

    Highlights: • Three processes were considered: desulfurization by adsorption, in-situ sorbent regeneration and its production. • The steam for regeneration was studied considering it as a bought external utility and as an in-situ produced utility. • From the cash flow analysis, the cost of the overall desulfurization process was between 2.5 and 4.0 c€/Nm"3. • A sensitivity analysis was carried out to consider the uncertainty of the methodology. • The competitiveness of the technology seems to be promising versus other biogas H_2S removal technologies. - Abstract: Biogas plant upgrading by adsorption of hydrogen sulfide on treated sewage–sludge was techno-economically assessed. Three different processes were included in the study: the desulfurization of biogas by adsorption, the in-situ regeneration of the adsorbent and its production from sewage-sludge. Biogas plant upgrading was performed for a flow rate of 1000 Nm"3/h of biogas with a H_2S concentration of 2000 ppmv and a breakthrough concentration of 200 ppmv, which is the technical limit value for internal combustion engines. The cost due to the steam required for the in-situ regeneration was evaluated in two different scenarios: as a bought external utility and as an in-situ produced utility, installing an electric or a biogas steam boiler. According to the cash flow analysis carried out, all the options require a similar minimum selling price for the upgraded biogas (about 0.27–0.29 €/Nm"3), with a cost of the overall desulfurization process between 2.5 and 4.0 c€/Nm"3.

  20. Accumulation of fluoride by plants and vegetables

    International Nuclear Information System (INIS)

    Njenga, L.W.; Kariuki, D.N.

    1994-01-01

    Fluoride in plant and vegetable samples has been determined using ion selective electrode. The analysis was carried out after ashing the sample on an open flame, adding perchloric acid and allowing the hydrogen fluoride to diffuse into sodium hydroxide layer.The results obtained show that kale and pumpkins can accumulate more than ten times their normal values of fluoride while plants were found to accumulate upto 100μg/g fluoride when exposed to highlevels of fluoride in water or soil. (author)

  1. A study on metal organic framework (MOF-177) synthesis, characterization and hydrogen adsorption -desorption cycles

    Energy Technology Data Exchange (ETDEWEB)

    Viditha, V.; Venkateswer Rao, M.; Srilatha, K.; Himabindu, V. [Centre for Environment, Institute of Science and Technology, Jawaharlal Nehru Technological University Hyderabad, Kukatpally, Hyderabad-500 085, A.P. (India); Yerramilli, Anjaneyulu [Director, TLGVRC, JSU Box 18739, JSU, Jackson, MS 32917-0939 (United States)

    2013-07-01

    Hydrogen has long been considered to be an ideal alternative to fossil-fuel systems and much work has now been done on its storage. There are four main methods of hydrogen storage: as a liquid; as compressed hydrogen; in the form of metal hydrides; and by physisorption. Among all the materials metal organic frameworks (MOFs) are considered to have desirable properties like high porosity, pore volume and high thermal stability. MOF-177 is considered to be an ideal storage material. In this paper we study about its synthesis and hydrogen storage capacities of MOF-177 at different pressures ranging from 25, 50, 75 and 100 bar respectively. The obtained samples are characterized by XRD, BET and SEM. The recorded results show that the obtained hydrogen capacity is 1.1, 2.20, 2.4 and 2.80 wt%. The desorption capacity is 0.9, 2.1, 2.37 and 2.7 wt% at certain temperatures like 373 K.

  2. Effect of hydrogen adsorption on the formation and annealing of Stone-Wales defects in graphene

    Science.gov (United States)

    Podlivaev, A. I.; Openov, L. A.

    2015-12-01

    The heights of energy barriers preventing the formation and annealing of Stone-Wales defects in graphene with a hydrogen atom adsorbed on the defect or in its immediate vicinity have been calculated using the atomistic computer simulation. It has been shown that, in the presence of hydrogen, both barriers are significantly lower than those in the absence of hydrogen. Based on the analysis of the potential energy surface, the frequency factors have been calculated for two different paths of the Stone-Wales transformation, and the temperature dependences of the corresponding annealing times of the defects have been found. The results obtained have been compared with the first-principles calculations and molecular dynamics data.

  3. Creation of paired electron states in the gap of semiconducting carbon nanotubes by correlated hydrogen adsorption

    International Nuclear Information System (INIS)

    Buchs, Gilles; Krasheninnikov, Arkady V; Ruffieux, Pascal; Groening, Pierangelo; Foster, Adam S; Nieminen, Risto M; Groening, Oliver

    2007-01-01

    The specific, local modification of the electronic structure of carbon nanomaterials is as important for novel electronic device fabrication as the doping in the case of silicon-based electronics. Here, we report low temperature scanning tunneling microscopy and spectroscopy study of semiconducting carbon nanotubes subjected to hydrogen-plasma treatment. We show that plasma treatment mostly results in the creation of paired electronic states in the nanotube band gap. Combined with extensive first-principle simulations, our results provide direct evidence that these states originate from correlated chemisorption of hydrogen adatoms on the tube surface. The energy splitting of the paired states is governed by the adatom-adatom interaction, so that controlled hydrogenation can be used for engineering the local electronic structure of nanotubes and other sp 2 -bonded nanocarbon systems

  4. Ab initio investigation on hydrogen adsorption capability in Zn and Cu-based metal organic frameworks

    Energy Technology Data Exchange (ETDEWEB)

    Tanuwijaya, V. V., E-mail: viny.veronika@gmail.com [Engineering Physics, Faculty of Industrial Technology, Institut Teknologi Bandung Jalan Ganeca 10 Gd. T.P. Rachmat, Bandung 40132 (Indonesia); Hidayat, N. N., E-mail: avantgarde.vee@gmail.com; Agusta, M. K., E-mail: kemal@fti.itb.ac.id; Dipojono, H. K., E-mail: dipojono@tf.itb.ac.id

    2015-09-30

    One of the biggest challenge in material technology for hydrogen storage application is to increase hydrogen uptake in room temperature and pressure. As a class of highly porous material, Metal-Organic Frameworks (MOF) holds great potential with its tunable structure. However, little is known about the effect of metal cluster to its hydrogen storage capability. Investigation on this matter has been carried out carefully on small cluster of Zn and Cu-based MOF using first principles method. The calculation of two distinct building units of MOFs, namely octahedral and paddle-wheel models, have been done with B3LYP density functional method using 6-31G(d,p) and LANL2DZ basis sets. From geometry optimization of Zn-based MOF linked by benzene-dicarboxylate (MOF-5), it is found that hydrogen tends to keep distance from metal cluster group and stays above benzene ring. In the other hand, hydrogen molecule prefers to stay atop of the exposed Cu atom in Cu-based MOF system linked by the same linker group (Cu-bdc). Calculated hydrogen binding enthalpies for Zn and Cu octahedral cages at ZnO{sub 3} sites are 1.64kJ/mol and 2.73kJ/mol respectively, while hydrogen binding enthalpies for Zn and Cu paddle-wheel cages calculated on top of metal atoms are found to be at 6.05kJ/mol and 6.10kJ/mol respectively. Major difference between Zn-MOF-5 and Cu-bdc hydrogen uptake performance might be caused by unsaturated metal sites present in Cu-bdc system and the influence of their geometric structures, although a small difference on binding energy in the type of transition metal used is also observed. The comparison between Zn and Cu-based MOF may contribute to a comprehensive understanding of metal clusters and the importance of selecting best transition metal for design and synthesis of metal-organic frameworks.

  5. Nitrogen Adsorption and Hydrogenation on a MoFe6S9 Complex

    DEFF Research Database (Denmark)

    Rod, Thomas Holm; Hammer, Bjørk; Nørskov, Jens Kehlet

    1999-01-01

    The enzyme nitrogenase catalyzes the biological nitrogen fixation where N-2 is reduced to NH3. Density functional calculations are presented of the bonding and hydrogenation of N-2 on a MoFe6S9 complex constructed to model aspects of the active site of nitrogenase. N-2 is found to bind end on to ...... on to one of the Fe atoms. A complete energy diagram for the addition of hydrogen to the MoFe6S9 complex with and without N-2 is given, and a mechanism for ammonia synthesis is proposed on this basis....

  6. Theoretical Investigation of Hydrogen Adsorption and Dissociation on Iron and Iron Carbide Surfaces Using the ReaxFF Reactive Force Field Method

    Energy Technology Data Exchange (ETDEWEB)

    Zou, Chenyu; van Duin, Adri C.T.; Sorescu, Dan C.

    2012-06-01

    We have developed a ReaxFF reactive force field to describe hydrogen adsorption and dissociation on iron and iron carbide surfaces relevant for simulation of Fischer–Tropsch (FT) synthesis on iron catalysts. This force field enables large system (>>1000 atoms) simulations of hydrogen related reactions with iron. The ReaxFF force field parameters are trained against a substantial amount of structural and energetic data including the equations of state and heats of formation of iron and iron carbide related materials, as well as hydrogen interaction with iron surfaces and different phases of bulk iron. We have validated the accuracy and applicability of ReaxFF force field by carrying out molecular dynamics simulations of hydrogen adsorption, dissociation and recombination on iron and iron carbide surfaces. The barriers and reaction energies for molecular dissociation on these two types of surfaces have been compared and the effect of subsurface carbon on hydrogen interaction with iron surface is evaluated. We found that existence of carbon atoms at subsurface iron sites tends to increase the hydrogen dissociation energy barrier on the surface, and also makes the corresponding hydrogen dissociative state relatively more stable compared to that on bare iron. These properties of iron carbide will affect the dissociation rate of H{sub 2} and will retain more surface hydride species, thus influencing the dynamics of the FT synthesis process.

  7. Hydrogen isotope in erbium oxide: Adsorption, penetration, diffusion, and vacancy trapping

    International Nuclear Information System (INIS)

    Mao, Wei; Chikada, Takumi; Suzuki, Akihiro; Terai, Takayuki; Matsuzaki, Hiroyuki

    2015-01-01

    Highlights: • H adsorption on cubic Er 2 O 3 surface results in electron transfer from H to the surface. • The H penetration energy of at least 1.6 eV is required for cubic Er 2 O 3 surface. • The dominated mechanisms of H diffusion in bulk Er 2 O 3 are elucidated. • H diffusion near or at vacancies in Er 2 O 3 is an exothermic reaction. - Abstract: In this study, we report results using first-principles density functional theory calculations for four critical aspects of the interaction: H adsorption on Er 2 O 3 surface, surface-to-subsurface penetration of H into Er 2 O 3 , bulk diffusion of H in Er 2 O 3 , and trapping of H at vacancies. We identify surface stable adsorption positions and find that H prefers to transfer electrons to the surfaces and form covalent bonds with the nearest neighboring four oxygen atoms. For low surface coverage of H as in our case (0.89 × 10 14 H/cm 2 ), a penetration energy of at least 1.60 eV is required for cubic Er 2 O 3 surfaces. Further, the H diffusion barrier between the planes defined by Er 2 O 3 units along the favorable <1 1 1> direction is found to be very small – 0.16 eV – whereas higher barriers of 0.41 eV and 1.64 eV are required for diffusion across the planes, somewhat higher than the diffusion energy barrier of 0.20 eV observed experimentally at 873 K. In addition, we predict that interstitial H is exothermically trapped when it approaches a vacancy with the vacancy defect behaving as an electron trap since the H-vacancy defect is found to be more stable than the intrinsic defect

  8. High temperature hydrogen sulfide adsorption on activated carbon - I. Effects of gas composition and metal addition

    Science.gov (United States)

    Cal, M.P.; Strickler, B.W.; Lizzio, A.A.

    2000-01-01

    Various types of activated carbon sorbents were evaluated for their ability to remove H2S from a simulated coal gas stream at a temperature of 550 ??C. The ability of activated carbon to remove H2S at elevated temperature was examined as a function of carbon surface chemistry (oxidation, thermal desorption, and metal addition), and gas composition. A sorbent prepared by steam activation, HNO3 oxidation and impregnated with Zn, and tested in a gas stream containing 0.5% H2S, 50% CO2 and 49.5% N2, had the greatest H2S adsorption capacity. Addition of H2, CO, and H2O to the inlet gas stream reduced H2S breakthrough time and H2S adsorption capacity. A Zn impregnated activated carbon, when tested using a simulated coal gas containing 0.5% H2S, 49.5% N2, 13% H2, 8.5% H2O, 21% CO, and 7.5% CO2, had a breakthrough time of 75 min, which was less than 25 percent of the length of breakthrough for screening experiments performed with a simplified gas mixture of 0.5% H2S, 50% CO2, and 49.5% N2.

  9. Fluoride analysis

    Energy Technology Data Exchange (ETDEWEB)

    Brandt, C S

    1963-01-01

    The methods and procedures for the detection and estimation of fluoride are varied and numerous. The problems of sampling, contamination, and loss in sampling waters, plant and animal tissues and atmospheres are discussed, along with brief descriptors of methods most commonly used. Techniques for separating fluorides from matrixes are discussed, as well as gravimetric, calorimetric, and spectrophotometric analytical techniques.

  10. Hydrogen isotope in erbium oxide: Adsorption, penetration, diffusion, and vacancy trapping

    Energy Technology Data Exchange (ETDEWEB)

    Mao, Wei, E-mail: mao@nuclear.jp [Department of Nuclear Engineering and Management, School of Engineering, The University of Tokyo, 2-11-16 Yayoi, Bunkyo-ku, Tokyo 113-8656 (Japan); The University Museum, The University of Tokyo, 2-11-16 Yayoi, Bunkyo-ku, Tokyo 113-0032 (Japan); Chikada, Takumi [Department of Chemistry, Graduate School of Science, Shizuoka University, 836 Ohya, Suruga-ku, Shizuoka 422-8529 (Japan); Suzuki, Akihiro [Nuclear Professional School, School of Engineering, The University of Tokyo, 2-22, Shirakata-shirane, Tokai, Naka 319-1188, Ibaraki (Japan); Terai, Takayuki [Department of Nuclear Engineering and Management, School of Engineering, The University of Tokyo, 2-11-16 Yayoi, Bunkyo-ku, Tokyo 113-8656 (Japan); Matsuzaki, Hiroyuki [The University Museum, The University of Tokyo, 2-11-16 Yayoi, Bunkyo-ku, Tokyo 113-0032 (Japan)

    2015-03-15

    Highlights: • H adsorption on cubic Er{sub 2}O{sub 3} surface results in electron transfer from H to the surface. • The H penetration energy of at least 1.6 eV is required for cubic Er{sub 2}O{sub 3} surface. • The dominated mechanisms of H diffusion in bulk Er{sub 2}O{sub 3} are elucidated. • H diffusion near or at vacancies in Er{sub 2}O{sub 3} is an exothermic reaction. - Abstract: In this study, we report results using first-principles density functional theory calculations for four critical aspects of the interaction: H adsorption on Er{sub 2}O{sub 3} surface, surface-to-subsurface penetration of H into Er{sub 2}O{sub 3}, bulk diffusion of H in Er{sub 2}O{sub 3}, and trapping of H at vacancies. We identify surface stable adsorption positions and find that H prefers to transfer electrons to the surfaces and form covalent bonds with the nearest neighboring four oxygen atoms. For low surface coverage of H as in our case (0.89 × 10{sup 14} H/cm{sup 2}), a penetration energy of at least 1.60 eV is required for cubic Er{sub 2}O{sub 3} surfaces. Further, the H diffusion barrier between the planes defined by Er{sub 2}O{sub 3} units along the favorable <1 1 1> direction is found to be very small – 0.16 eV – whereas higher barriers of 0.41 eV and 1.64 eV are required for diffusion across the planes, somewhat higher than the diffusion energy barrier of 0.20 eV observed experimentally at 873 K. In addition, we predict that interstitial H is exothermically trapped when it approaches a vacancy with the vacancy defect behaving as an electron trap since the H-vacancy defect is found to be more stable than the intrinsic defect.

  11. Effects of hydrogen adsorption on the properties of double wall BN and (BN){sub x}C{sub y} nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Freitas, A. [Departamento de Física, Universidade Federal da Paraíba, Caixa Postal 5008, 58059-900 João Pessoa, PB (Brazil); Azevedo, S., E-mail: sazevedo@fisica.ufpb.br [Departamento de Física, Universidade Federal da Paraíba, Caixa Postal 5008, 58059-900 João Pessoa, PB (Brazil); Kaschny, J.R. [Instituto Federal da Bahia – Campus Vitoria da Conquista, Avenida Amazonas 3150, 45030-220 Vitória da Conquista, BA (Brazil)

    2016-01-15

    In the present contribution, we apply first-principles calculations, based on the density functional theory, to study the effects of hydrogen adsorption on the structural and electronic properties of boron nitride and hybrid carbon–boron nitride double wall nanotubes. The results demonstrate that the hydrogen decoration induces significant structural deformation and an appreciable reduction in the gap energy. When the number of hydrogen atoms introduced on the outer wall is increased, desorption of hydrogen pairs are observed. The calculations indicate that each adsorbed hydrogen atom induces a structural deformation with an energetic cost of about 68 meV/atom. It is also found that the introduction of hydrogen atoms can be applied as an efficient tool for tuning the electronic properties of such structures. - Graphical abstract: Localized density of states of a hydrogenated double wall boron nitride nanotube. Some hydrogen pairs are desorbed, forming H{sub 2} molecules. - Highlights: • Hydrogenation induces structural deformation and reduction in the gap energy. • Each H atom induces a deformation with an energetic cost of about 68 meV/atom. • In some cases, desorption of H pairs from the outer wall is observed.

  12. Proposed replacement and operation of the anhydrous hydrogen fluoride supply and fluidized-bed chemical processing systems at Building 9212, Y-12 Plant, Oak Ridge, Tennessee

    International Nuclear Information System (INIS)

    1995-09-01

    The US Department of Energy (DOE) proposes to replace the existing anhydrous hydrogen fluoride (AHF) supply and fluidized-bed reactor systems for the Weapons Grade Highly Enriched Uranium Chemical Recovery and Recycle Facility, Building 9212, which is located within the Y-12 Plant on DOE's Oak Ridge Reservation in Oak Ridge, Tennessee. The proposed replacement system would be based upon modern design criteria and safety analyses. The replacement AHF supply and distribution system equipment would be located on the existing Dock 8/8A at Building 9212. Utilities would be extended to the dock to service the process equipment. The following process equipment modules would be prefabricated for installation at the modified dock: an AHF cylinder enclosure, an AHF supply manifold and vaporizer module, an AHF sump tank and transfer skid, and an AHF supply off-gas scrubber assembly module. The fluidized-bed reactor system would be constructed in an area adjacent to the existing system in Building 9212. The replacement equipment would consist of a new reduction fluidized-bed reactor, a hydrofluorination fluidized-bed reactor, and associated air emission control equipment. The no-action alternative, which is the continued operation of the existing AHF supply and fluidized-bed reactor systems, was also evaluated

  13. Study of the behaviour of some heavy elements in solvents containing hydrogen fluoride; Etude du comportement de quelques elements lourds dans des solvants a base d'acide fluorhydrique

    Energy Technology Data Exchange (ETDEWEB)

    Tarnero, M [Commissariat a l' Energie Atomique, Fontenay-aux-Roses (France). Centre d' Etudes Nucleaires

    1967-01-01

    The anhydrous liquid mixtures: dinitrogen tetroxide-hydrogen fluoride and antimony pentafluoride-hydrogen fluoride were studied as solvents for heavy elements interesting nuclear energy: uranium, thorium, zirconium and for some of their compounds. For N{sub 2}O{sub 4}-HF mixtures, electric conductivity measurements and liquid phase infrared spectra were also obtained. Uranium and zirconium tetrafluoride are much more soluble in N{sub 2}O{sub 4}-HF mixtures than in pure hydrogen fluoride. Uranium dissolved in these mixtures is pentavalent. In SbF{sub 5}-HF mixtures, uranium dissolves with hydrogen evolution and becomes trivalent. The solid compound resulting from the dissolution is a fluoro-antimonate: U(SbF{sub 6}){sub 3}. (author) [French] On a etudie les melanges liquides anhydres: peroxyde d'azote-acide fluorhydrique et pentafluorure d'antimoine-acide fluorhydrique comme solvants d'elements lourds interessant l'energie nucleaire: uranium, thorium, zirconium et de quelques uns de leurs composes. Pour les melanges N{sub 2}O{sub 4}-HF on a egalement effectue des mesures de conductivite electrique, ainsi que des spectres d'absorption infrarouge en phase liquide. Le tetrafluorure d'uranium et le tetrafluorure de zirconium sont beaucoup plus solubles dans les melanges N{sub 2}O{sub 4}-HF que dans l'acide fluorhydrique. L'uranium dissous dans ces melanges est a l'etat pentavalent. Dans les melanges SbF{sub 5}-HF l'uranium se dissout avec degagement d'hydrogene et passe a l'etat trivalent. Le compose solide resultant de la dissolution est un fluoantimoniate: U(SbF{sub 6}){sub 3}. (auteur)

  14. Competitive Adsorption-Assisted Formation of One-Dimensional Cobalt Nanochains with High CO Hydrogenation Activity

    Energy Technology Data Exchange (ETDEWEB)

    Liang, Xin [State; Ren, Zhibo [State; Institute; Zhu, Xiaolin [State; Zhang, Qinwei [State; Mei, Donghai [Institute; Chen, Biaohua [State

    2017-10-31

    In the present work, cobalt nanochains have been successfully synthesized by a novel co assisted self-assembling formation strategy. A dramatic morphology transformation from cobalt nanoparticles to nanochains are observed when co molecules were introduced into the synthetic system. DFT calculations further confirm that competitive co-adsorbed co and oleylamine over the cobalt nanoparticles facilitates the formation of cobalt nanochains, which show higher co hydrogenation performance. The present work provides a new strategic and promising method for controllable synthesis of catalyst nanomaterials with the preferred surface structure and morphology.

  15. Tamarind (Tamarindus indica) fruit shell carbon: A calcium-rich promising adsorbent for fluoride removal from groundwater

    International Nuclear Information System (INIS)

    Sivasankar, V.; Rajkumar, S.; Murugesh, S.; Darchen, A.

    2012-01-01

    Highlights: ► The carbonization of Tamarind fruit shell improved its defluoridation efficiency. ► Calcium carbonate particles were involved in the defluoridation process. ► Adsorbent dose, pH, and fluoride concentration showed significant effects. ► Maximum adsorption of fluoride was achieved at pH 7–8. ► Prepared carbons were efficient in treating three natural waters. - Abstract: Tamarindus indica fruit shells (TIFSs) are naturally calcium rich compounds. They were impregnated with ammonium carbonate and then carbonized, leading to ammonium carbonate activated ACA-TIFS carbon. The resulting materials and carbon arising from virgin fruit shells V-TIFS were characterized and assayed as adsorbent for the removal of fluoride anions from groundwater. The fluoride scavenging ability of TIFS carbons was due to naturally dispersed calcium compounds. X-ray diffraction (XRD) showed that TIFS carbon contained a mixture of calcium oxalate and calcium carbonate. Batch studies on the fluoride removal efficiency of TIFS carbons with respect to contact time, pH, initial fluoride concentration, and co-ion interference were conducted. Applicability of various kinetic models (viz., pseudo-first-order, pseudo-second-order, intra-particle diffusion and Elovich) and sorption isotherms were tested for batch techniques. The fluoride removal capacity of TIFS carbons was found to be 91% and 83% at a pH of 7.05 for V-TIFS and ACA-TIFS carbons, respectively. The practical applicability of TIFS carbons using groundwater samples was approved. The fluoride removal was greater in groundwater without hydrogen carbonate ions than those containing these ions. The characterizations of fluoride unloaded and loaded TIFS carbons were done by SEM and XRD studies.

  16. Adsorption/oxidation of hydrogen sulfide on nitrogen-containing activated carbons

    Energy Technology Data Exchange (ETDEWEB)

    Adib, F.; Bagreev, A.; Bandosz, T.J.

    2000-02-22

    Wood-based activated carbon was modified by impregnation with urea and heat treatment at 450 and 950 C. The chemical and physical properties of materials were determined using acid/base titration, FTIR, thermal analysis, IGC, and sorption of nitrogen. The surface features were compared to those of a commercial urea-modified carbon. Then, the H{sub 2}S breakthrough capacity tests were carried out, and the sorption capacity was evaluated. The results showed that urea-modified sorbents have a capacity similar to that of the received material; however, the conversion of hydrogen sulfide to a water-soluble species is significantly higher. It happens due to a high dispersion of basic nitrogen compounds in the small pores of carbons, where oxidation of hydrogen sulfide ions to sulfur radicals followed by the creation of sulfur oxides and sulfuric acid occurs. It is proposed that the process proceeds gradually, from small pores to larger, and that the degree of microporosity is an important factor.

  17. Hydrogen storage by adsorption on activated carbon: investigation of the thermal effects during the charging process

    International Nuclear Information System (INIS)

    Hermosilla-Lara, G.

    2007-02-01

    This work presents an experimental and numerical investigation of the thermal effects occurring during the charge of adsorbent fixed bed tank. The influence of these thermal effects, which result from the exothermal character of the adsorption process and the pressure forces work, on the storage capacity is specially analysed. An experimental setup allowing the dynamic measurements of the temperature and pressure profiles has been used. Then the numerical protocol with the Fluent software, has been validated by comparison of the simulated pressure, flow rate and temperature fields in the tank with the results obtained from an experimental investigation carried out the dynamic storage. Several predictive simulations have been carried out in order to study the effect of the boundary conditions, as the wall temperature or effective thermal conductivity of the porous bed, on the storage capacity of the reservoir. We searched the optimal geometry of an interbed thermal dissipator for a given industrial tank. To do this we made vary the H/L ratio, which represents the ratio of the height of an elementary stage and the total length of the tank. We could determine an optimal geometry which corresponds to the value 1/3 of the ratio H/L. From this optimum we studied the effect of five additional cooling tubes on the tank storage capacity. The stored mass is 15 % higher than that obtained without these tubes. (author)

  18. Reactivity of a reduced metal oxide surface: hydrogen, water and carbon monoxide adsorption on oxygen defective rutile TiO 2( 1 1 0 )

    Science.gov (United States)

    Menetrey, M.; Markovits, A.; Minot, C.

    2003-02-01

    The reactivity at reduced surface differs from that on the stoichiometric perfect surfaces. This does not originate uniquely from the modification of the coordination; electron count also is determining. The general trend is a decrease of the heat of adsorption on the metal cations. The reactivity decreases at sites in the vicinity of the defects due to the reduction induced by the O vacancies. At the defect site the decrease is less pronounced for H, H 2, CO and molecular H 2O. In the case of H 2O dissociative adsorption, the defect site is more reactive than the perfect surface. Thus, a hydration converting the defective-reduced TiO 2 to the hydrogenated non-defective-reduced surface is easy. The resulting structure possesses surface hydroxyl groups. It is probably the easiest way to form the hydrogenated non-defective surface. On TiO 2, the defective surface requires very anhydrous conditions.

  19. Probing the structure, stability and hydrogen adsorption of lithium functionalized isoreticular MOF-5 (Fe, Cu, Co, Ni and Zn) by density functional theory.

    Science.gov (United States)

    Venkataramanan, Natarajan Sathiyamoorthy; Sahara, Ryoji; Mizuseki, Hiroshi; Kawazoe, Yoshiyuki

    2009-04-14

    Li adsorption on isoreticular MOFs with metal Fe, Cu, Co, Ni and Zn was studied using density function theory. Li functionalization shows a considerable structural change associated with a volume change in isoreticular MOF-5 except for the Zn metal center. Hydrogen binding energies on Li functionalized MOFs are seen to be in the range of 0.2 eV, which is the desired value for an ideal reversible storage system. This study has clearly shown that Li doping is possible only in Zn-based MOF-5, which would be better candidate to reversibly store hydrogen.

  20. Probing the Structure, Stability and Hydrogen Adsorption of Lithium Functionalized Isoreticular MOF-5 (Fe, Cu, Co, Ni and Zn by Density Functional Theory

    Directory of Open Access Journals (Sweden)

    Yoshiyuki Kawazoe

    2009-04-01

    Full Text Available Li adsorption on isoreticular MOFs with metal Fe, Cu, Co, Ni and Zn was studied using density function theory. Li functionalization shows a considerable structural change associated with a volume change in isoreticular MOF-5 except for the Zn metal center. Hydrogen binding energies on Li functionalized MOFs are seen to be in the range of 0.2 eV, which is the desired value for an ideal reversible storage system. This study has clearly shown that Li doping is possible only in Zn-based MOF-5, which would be better candidate to reversibly store hydrogen.

  1. Measurement of solubility of hydrogen isotopes in Li-Pb by adsorption and desorption method

    International Nuclear Information System (INIS)

    Edao, Yuki; Katayama, K.; Fukada, S.

    2014-01-01

    Measurement of tritium solubility in lithium lead eutectic alloy (Li-Pb) has been performed under the Japan-US collaboration work of 'TITAN'. The present paper reports that results of H and D solubility in Li-Pb which melted in an alumina tube determined by means of a constant volume method, and also reports an experimental apparatus for measurement of tritium solubility in Li-Pb in a tungsten crucible is improved and examined in the STAR facility of the Idaho National Laboratory. It was shown that H solubility in Li-Pb was easily influenced by impurities, interaction with surrounding materials and evaporated Li-Pb. The influences were suggested to be caused by large scattering among the previously reported data on solubility of hydrogen isotopes in Li-Pb. (author)

  2. Quantum mechanical calculation of the adsorption of hydrogen isotopes on metallic nickel

    International Nuclear Information System (INIS)

    Zhu Zhenghe; Liu Youcheng; Wang Hongyan; Jiang Gang; Tan Mingliang

    1998-01-01

    The electronic ground state of NiH, NiD and NiT is derived to be 2 Σ + based on atomic and molecular reaction statics, then, energy E, heat capacity at constant volume C V and entropy S of these molecules have been calculated using QCISD/6-311G ** method. considering the characteristics of different motion types, the electronic and vibrational energy or entropy of molecule are assumed to be the corresponding values of their solid states. Then, it is easy to calculate ΔH degree, ΔS degree, ΔG degree and equilibrium pressure and examine the isotopic effect. The present method is somehow applicable to theoretical study on the storage-hydrogen materials

  3. Adsorption separation factors for hydrogen--deuterium (H/sub 2/-HD-D/sub 2/) mixtures on synthetic mordenite at 48 to 62/sup 0/K. [Reaction Kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Parbuzin, V S; Kuryakov, Yu N

    1975-07-01

    The temperature dependence of selectivity has been determined for the adsorption of hydrogen isotopes by sodium mordenite. Heats and entropies of exchange of the isotopic molecules in the gas-zeolite system have been calculated from the experimental results. (auth)

  4. Carbon nanotubes for energy storage using their hydrogen adsorption capacity: state of the art and perspectives; Nanotubos de carbono para estocagem de energia por adsorcao de hidrogenio: estado da arte e perspectivas

    Energy Technology Data Exchange (ETDEWEB)

    Maestro, Luis Fernando; Luengo, Carlos Alberto [Universidade Estadual de Campinas (UNICAMP), SP (Brazil). Inst. de Fisica. Grupo de Combustiveis Alternativos], e-mail: lmaestro@ifi.unicamp.br

    2004-07-01

    It is presented an updated scope of the research in carbon nanotubes synthesis, their purification and a discussion of recent results in energy storage using their hydrogen adsorption capacity. The GCA activities in this area are also discussed. (author)

  5. FLUORIDE SORPTION USING MORRINGA INDICA-BASED ACTIVATED CARBON

    Directory of Open Access Journals (Sweden)

    G. Karthikeyan, S. Siva Ilango

    2007-01-01

    Full Text Available Batch adsorption experiments using activated carbon prepared from Morringa Indica bark were conducted to remove fluoride from aqueous solution. A minimum contact time of 25 min was required for optimum fluoride removal. The influence of adsorbent, dose, pH, co-ions (cations and anions on fluoride removal by the activated carbon has been experimentally verified. The adsorption of fluoride was studied at 30 C, 40 C and 50 C. The kinetics of adsorption and adsorption isotherms at different temperatures were studied. The fluoride adsorption obeyed both Langmuir and Freundlich isotherms and followed a pseudo first order kinetic model. The thermodynamic studies revealed that the fluoride adsorption by Morringa Indica is an endothermic process indicating an increase in sorption rate at higher temperatures. The negative values of G indicate the spontaneity of adsorption. SEM and XRD studies confirmed the surface morphological characteristics of the adsorbent and the deposition of fluoride on the surface of the material.

  6. Fluoridation Basics

    Science.gov (United States)

    ... return on investment for community water fluoridation (including productivity losses) ranged from $4 in small communities of ... National Center for Chronic Disease Prevention and Health Promotion Email Recommend Tweet YouTube Instagram Listen Watch RSS ...

  7. Effects of fluorides on plants

    Energy Technology Data Exchange (ETDEWEB)

    Yamazoe, F

    1975-11-01

    Fluorine compounds known to be air pollutants, such as hydrogen fluoride and silicon tetrachloride, are highly poisonous to plants even at ppm - ppb levels. As solid microparticles, acidic sodium fluoride and cryolite cause problems by adhering to plant leaves and absorbing into plant bodies. Plants are classified by their susceptibility to hydrogen fluoride: gladiolus, apricot, buckwheat, turnip and Vaccinium vitis-idaea are most susceptible showing slight injury at less than 5 ppb for 7-9 days; maize, pepper, and dahlia are fairly susceptible, followed by azalea, rose, lilac, and alfalfa, then by oak and tomato. Gladiolus is used as an indicator plant. The exposure factor for one species was known. The symptoms of plants exposed to gaseous fluorine compounds are described in detail at various concentrations. The causal mechanism of the injuries due to fluorine compounds is described in detail, with the method of determining the fluorine content of plant parts. 7 references.

  8. Early construction and operation of the highly contaminated water treatment system in Fukushima Daiichi Nuclear Power Station (4). Assessment of hydrogen behavior in stored Cs adsorption vessel

    International Nuclear Information System (INIS)

    Kondo, Masahiro; Arai, Takahiro; Nishi, Yoshihisa

    2014-01-01

    Hydrogen diffusion behavior in a cesium adsorption vessel is assessed. The vessel is used to remove radioactive substance from contaminated water, which is proceeded from Fukushima accident. Experiment and numerical calculation are conducted to clarify the characteristics of natural circulation in the vessel. The natural circulation arising from the temperature difference between inside and outside the vessel is confirmed. We develop an evaluation model to predict the natural circulation and its prediction agrees well with the results obtained by the experiment and the calculation. Using the model, we predict steady and transient behavior of hydrogen concentration. Results indicate that hydrogen concentration is kept lower than the flammability limit when the short vent pipe is open. (author)

  9. High-Resolution Electron Energy Loss Studies of Oxygen, Hydrogen, Nitrogen, Nitric Oxide, and Nitrous Oxide Adsorption on Germanium Surfaces.

    Science.gov (United States)

    Entringer, Anthony G.

    The first high resolution electron energy loss spectroscopy (HREELS) studies of the oxidation and nitridation of germanium surfaces are reported. Both single crystal Ge(111) and disordered surfaces were studied. Surfaces were exposed to H, O_2, NO, N _2O, and N, after cleaning in ultra-high vacuum. The Ge surfaces were found to be non-reactive to molecular hydrogen (H_2) at room temperature. Exposure to atomic hydrogen (H) resulted hydrogen adsorption as demonstrated by the presence of Ge-H vibrational modes. The HREEL spectrum of the native oxide of Ge characteristic of nu -GeO_2 was obtained by heating the oxide to 200^circC. Three peaks were observed at 33, 62, and 106 meV for molecular oxygen (O_2) adsorbed on clean Ge(111) at room temperature. These peaks are indicative of dissociative bonding and a dominant Ge-O-Ge bridge structure. Subsequent hydrogen exposure resulted in a shift of the Ge-H stretch from its isolated value of 247 meV to 267 meV, indicative of a dominant +3 oxidation state. A high density of dangling bonds and defects and deeper oxygen penetration at the amorphous Ge surface result in a dilute bridge structure with a predominant +1 oxidation state for similar exposures. Molecules of N_2O decompose at the surfaces to desorbed N_2 molecules and chemisorbed oxygen atoms. In contrast, both oxygen and nitrogen are detected at the surfaces following exposure to NO molecules. Both NO and N_2O appear to dissociate and bond at the top surface layer. Molecular nitrogen (N_2) does not react with the Ge surfaces, however, a precursor Ge nitride is observed at room temperature following exposure to nitrogen atoms and ions. Removal of oxygen by heating of the NO-exposed surface to 550^circC enabled the identification of the Ge-N vibrational modes. These modes show a structure similar to that of germanium nitride. This spectrum is also identical to that of the N-exposed surface heated to 550^circC. Surface phonon modes of the narrow-gap semiconducting

  10. Water-Stable Metal-Organic Framework with Three Hydrogen-Bond Acceptors: Versatile Theoretical and Experimental Insights into Adsorption Ability and Thermo-Hydrolytic Stability.

    Science.gov (United States)

    Roztocki, Kornel; Lupa, Magdalena; Sławek, Andrzej; Makowski, Wacław; Senkovska, Irena; Kaskel, Stefan; Matoga, Dariusz

    2018-03-19

    A new microporous cadmium metal-organic framework was synthesized both mechanochemically and in solution by using a sulfonyl-functionalized dicarboxylate linker and an acylhydrazone colinker. The three-dimensional framework is highly stable upon heating to 300 °C as well as in aqueous solutions at elevated temperatures or acidic conditions. The thermally activated material exhibits steep water vapor uptake at low relative pressures at 298 K and excellent recyclability up to 260 °C as confirmed by both quasi-equilibrated temperature-programmed desorption and adsorption (QE-TPDA) method as well as adsorption isotherm measurements. Reversible isotherms and hysteretic isobars recorded for the desorption-adsorption cycles indicate the maximum uptake of 0.19 g/g (at 298 K, up to p/p 0 = 1) or 0.18 g/g (at 1 bar, within 295-375 K range), respectively. The experimental isosteric heat of adsorption (48.9 kJ/mol) indicates noncoordinative interactions of water molecules with the framework. Exchange of the solvent molecules in the as-made material with water, performed in the single-crystal to single-crystal manner, allows direct comparison of both X-ray crystal structures. The single-crystal X-ray diffraction for the water-loaded framework demonstrates the orientation of water clusters in the framework cavities and reveals their strong hydrogen bonding with sulfonyl, acyl, and carboxylate groups of the two linkers. The grand canonical Monte Carlo (GCMC) simulations of H 2 O adsorption corroborate the experimental findings and reveal preferable locations of guest molecules in the framework voids at various pressures. Additionally, both experimental and GCMC simulation insights into the adsorption of CO 2 (at 195 K) on the activated framework are presented.

  11. Scandium fluorides

    International Nuclear Information System (INIS)

    Melnikov, P.; Nalin, M.; Messaddeq, Y.

    1997-01-01

    A new modification of scandium fluoride has been synthesised. The compound is deficient in fluorine, with the composition ScF 2.76 . It belongs to the tetragonal system, lattice parameters being a=3.792 and c=6.740 A and may be obtained at low temperatures by the decomposition of the precursor NH 4 ScF 4 . The reaction is topotactic, tetragonal parameters of the precursor are a=4.021 and c=6.744 A. Structural relationships with various fluorides and ammonium aminofluorides are discussed. This synthesis route with IR-assisted decomposition should be considered as a soft-chemistry approach. (orig.)

  12. Effects of hydrogen peroxide pretreatment of clay minerals on the adsorption of Sr-85 and Tc-95m under anoxic conditions

    International Nuclear Information System (INIS)

    Relyea, J.F.; Washburne, C.D.

    1979-01-01

    Treatment of three clay minerals with hydrogen peroxide affects the observed adsorption behavior of technetium relative to untreated clay under anoxic conditions. A possible adsorption mechanism of Tc is the reduction of TcO - 4 to a more positively charged or better adsorbed species. Oxidation of the clay by H 2 O 2 would hinder the reduction of TcO - 4 by buffering the clay-water system at a higher Eh value, although a difference in measured Eh value may go undetected. Sorption of strontium by the clays under the same conditions is not affected by a pretreatment with H 2 O 2 . The behavior of strontium follows that expected from ion exchange theory. 13 tables

  13. Performance of novel hydroxyapatite nanowires in treatment of fluoride contaminated water

    Energy Technology Data Exchange (ETDEWEB)

    He, Junyong; Zhang, Kaisheng [Nano-Materials and Environmental Detection Laboratory, Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China); Department of Chemistry, University of Science and Technology of China, Hefei, Anhui 230026 (China); Wu, Shibiao [Nano-Materials and Environmental Detection Laboratory, Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China); Cai, Xingguo; Chen, Kai; Li, Yulian [Nano-Materials and Environmental Detection Laboratory, Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China); Department of Chemistry, University of Science and Technology of China, Hefei, Anhui 230026 (China); Sun, Bai; Jia, Yong; Meng, Fanli; Jin, Zhen [Nano-Materials and Environmental Detection Laboratory, Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China); Kong, Lingtao, E-mail: ltkong@iim.ac.cn [Nano-Materials and Environmental Detection Laboratory, Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China); Liu, Jinhuai [Nano-Materials and Environmental Detection Laboratory, Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China)

    2016-02-13

    Highlights: • Novel ultralong hydroxyapatite (HAP) nanowires were developed for effective defluoridation. • High fluoride adsorption capacity, 40.65 mg/g at neutral pH. • The HAP nanowire membrane efficiently removed fluoride by dynamic adsorption. • The membrane could remove more than 98% fluoride, and filtered water amount reached 350 L/m{sup 2}. - Abstract: Novel ultralong hydroxyapatite (HAP) nanowires were successfully prepared for fluoride removal for the first time. The fluoride adsorption on the HAP nanowires was studied on a batch mode. The results revealed that the adsorption data could be well described by the Freundlich model, and the adsorption kinetic followed the pseudo-second-order model. The maximum of adsorption capacity was 40.65 mg/g at pH 7.0 when the fluoride concentration is 200 mg/L. The thermodynamic parameters suggested that the adsorption of fluoride was a spontaneous endothermic process. The FT-IR, XPS and Zeta potential analysis revealed that both anion exchange and electrostatic interactions were involved in the adsorption of fluoride. Furthermore, the HAP nanowires were made into HAP membrane through a simple process of suction filtration. Membrane filtration experiments revealed that the fluoride removal capabilities depended on the membrane thickness, flow rate and initial concentration of fluoride. The as-prepared membrane could remove fluoride efficiently through continues filtration. The filtered water amount could reach 350, 192, and 64 L/m{sup 2} when the fluoride concentrations were 4, 5 and 8 ppm, respectively, using the HAP membrane with only 150 μm thickness. The as-synthesized ultralong HAP nanowires were thus demonstrated to be very effective and biocompatible adsorbents for fluoride removal from contaminated water.

  14. Adsorption of ammonia at GaN(0001) surface in the mixed ammonia/hydrogen ambient - a summary of ab initio data

    International Nuclear Information System (INIS)

    Kempisty, Paweł; Krukowski, Stanisław

    2014-01-01

    Adsorption of ammonia at NH 3 /NH 2 /H-covered GaN(0001) surface was analyzed using results of ab initio calculations. The whole configuration space of partially NH 3 /NH 2 /H-covered GaN(0001) surface was divided into zones of differently pinned Fermi level: at the Ga broken bond state for dominantly bare surface (region I), at the valence band maximum (VBM) for NH 2 and H-covered surface (region II), and at the conduction band minimum (CBM) for NH 3 -covered surface (region III). The electron counting rule (ECR) extension was formulated for the case of adsorbed molecules. The extensive ab intio calculations show the validity of the ECR in case of all mixed H-NH 2 -NH 3 coverages for the determination of the borders between the three regions. The adsorption was analyzed using the recently identified dependence of the adsorption energy on the charge transfer at the surface. For region I ammonia adsorbs dissociatively, disintegrating into a H adatom and a HN 2 radical for a large fraction of vacant sites, while for region II adsorption of ammonia is molecular. The dissociative adsorption energy strongly depends on the Fermi level at the surface (pinned) and in the bulk (unpinned) while the molecular adsorption energy is determined by bonding to surface only, in accordance to the recently published theory. Adsorption of Ammonia in region III (Fermi level pinned at CBM) leads to an unstable configuration both molecular and dissociative, which is explained by the fact that broken Ga-bonds are doubly occupied by electrons. The adsorbing ammonia brings 8 electrons to the surface, necessitating the transfer of these two electrons from the Ga broken bond state to the Fermi level. This is an energetically costly process. Adsorption of ammonia at H-covered site leads to the creation of a NH 2 radical at the surface and escape of H 2 molecule. The process energy is close to 0.12 eV, thus not large, but the direct inverse process is not possible due to the escape of the

  15. Performance of novel hydroxyapatite nanowires in treatment of fluoride contaminated water.

    Science.gov (United States)

    He, Junyong; Zhang, Kaisheng; Wu, Shibiao; Cai, Xingguo; Chen, Kai; Li, Yulian; Sun, Bai; Jia, Yong; Meng, Fanli; Jin, Zhen; Kong, Lingtao; Liu, Jinhuai

    2016-02-13

    Novel ultralong hydroxyapatite (HAP) nanowires were successfully prepared for fluoride removal for the first time. The fluoride adsorption on the HAP nanowires was studied on a batch mode. The results revealed that the adsorption data could be well described by the Freundlich model, and the adsorption kinetic followed the pseudo-second-order model. The maximum of adsorption capacity was 40.65 mg/g at pH 7.0 when the fluoride concentration is 200mg/L. The thermodynamic parameters suggested that the adsorption of fluoride was a spontaneous endothermic process. The FT-IR, XPS and Zeta potential analysis revealed that both anion exchange and electrostatic interactions were involved in the adsorption of fluoride. Furthermore, the HAP nanowires were made into HAP membrane through a simple process of suction filtration. Membrane filtration experiments revealed that the fluoride removal capabilities depended on the membrane thickness, flow rate and initial concentration of fluoride. The as-prepared membrane could remove fluoride efficiently through continues filtration. The filtered water amount could reach 350, 192, and 64 L/m(2) when the fluoride concentrations were 4, 5 and 8 ppm, respectively, using the HAP membrane with only 150 μm thickness. The as-synthesized ultralong HAP nanowires were thus demonstrated to be very effective and biocompatible adsorbents for fluoride removal from contaminated water. Copyright © 2015 Elsevier B.V. All rights reserved.

  16. Uptake Fluoride from Water by Starch Stabilized Layered Double Hydroxides

    Directory of Open Access Journals (Sweden)

    Jiming Liu

    2018-06-01

    Full Text Available A novel starch stabilized Mg/Al layered Double hydroxides (S-LDHs was prepared in a facile approach and its fluoride ion removal performance was developed. Characterization of S-LDHs was employed by using X-ray diffraction (XRD, Fourier-transform infrared spectroscopy (FTIR, and particle size distribution. The adsorption property was studied through the assessment of the adsorption isotherms, kinetic models, thermal dynamics, and pH influence. The result shows that a low loading of starch of 10 mg onto layered double hydroxides (LDHs could obviously improve the fluoride removal rate. The S-LDHs had three times higher the adsorption capacity to fluoride than that of Mg/Al LDHs to fluoride. The particle size was smaller and the particle size distribution was narrower for S-LDHs than that for Mg/Al LDHs. The Langmuir adsorption isotherm model and pseudo-second-order kinetic model fitted well with the experimental data. In thermodynamic parameters, the enthalpy (ΔH0 value was 35.63 kJ·mol−1 and the entropy (ΔS0 value was 0.0806 kJ·mol−1K−1. The values of ΔG0 were negative, implying the adsorption process is spontaneous. S-LDHs reveals stable adsorption property in a wide pH range from 3 to 9. The mechanism for fluoride adsorption on S-LDHs included surface adsorption and interaction ion exchange.

  17. Remarkable adsorptive removal of nitrogen-containing compounds from a model fuel by a graphene oxide/MIL-101 composite through a combined effect of improved porosity and hydrogen bonding

    Energy Technology Data Exchange (ETDEWEB)

    Ahmed, Imteaz; Jhung, Sung Hwa, E-mail: sung@knu.ac.kr

    2016-08-15

    Highlights: • Metal-organic frameworks (MIL-101) were composed with graphene oxide (GnO). • GnO/MIL-101 showed the highest adsorption capacity for indole and quinoline. • Adsorption mechanism was clearly shown based on adsorption results and FTIR. • GnO/MIL-101 might be applied commercially considering capacity and reusability. - Abstract: A composite was prepared by combining a highly porous metal-organic framework (MOF), MIL-101 (Cr-benzenedicarboxylate), and graphene oxide (GnO). The porosity of the composite increased appreciably by the addition of GnO up to a specific amount in the MOF, though further increases in the quantity of GnO was detrimental to porosity. The improved porosity of the GnO/MIL-101 composite was utilized for adsorptive denitrogenation (ADN) of a model fuel where indole (IND) and quinoline (QUI) were used as nitrogen-containing compounds (NCCs). It was found that both IND and QUI showed improved adsorption on the composite compared with pristine MIL-101 or GnO due to the improved porosity of the composite. Interestingly, the improvement in adsorption of IND was much higher than the quantity estimated for the porosity. Importantly, GnO/MIL-101 showed the highest adsorption capacities for NCCs. Irrespective of the studied solvents and co-presence of IND and QUI, the composite adsorbent performed ADN most effectively. This remarkable improvement is explained by the additional mechanism of hydrogen bonding between the surface functional groups of GnO and the hydrogen attached to the nitrogen atom of IND. This hydrogen bonding mechanism is also supported by the results of the adsorption of pyrrole and methylpyrrole. On the other hand, QUI does not show hydrogen-bonding capability, and therefore, its enhanced adsorption originates from only the increased porosity of the adsorbents.

  18. Remarkable adsorptive removal of nitrogen-containing compounds from a model fuel by a graphene oxide/MIL-101 composite through a combined effect of improved porosity and hydrogen bonding

    International Nuclear Information System (INIS)

    Ahmed, Imteaz; Jhung, Sung Hwa

    2016-01-01

    Highlights: • Metal-organic frameworks (MIL-101) were composed with graphene oxide (GnO). • GnO/MIL-101 showed the highest adsorption capacity for indole and quinoline. • Adsorption mechanism was clearly shown based on adsorption results and FTIR. • GnO/MIL-101 might be applied commercially considering capacity and reusability. - Abstract: A composite was prepared by combining a highly porous metal-organic framework (MOF), MIL-101 (Cr-benzenedicarboxylate), and graphene oxide (GnO). The porosity of the composite increased appreciably by the addition of GnO up to a specific amount in the MOF, though further increases in the quantity of GnO was detrimental to porosity. The improved porosity of the GnO/MIL-101 composite was utilized for adsorptive denitrogenation (ADN) of a model fuel where indole (IND) and quinoline (QUI) were used as nitrogen-containing compounds (NCCs). It was found that both IND and QUI showed improved adsorption on the composite compared with pristine MIL-101 or GnO due to the improved porosity of the composite. Interestingly, the improvement in adsorption of IND was much higher than the quantity estimated for the porosity. Importantly, GnO/MIL-101 showed the highest adsorption capacities for NCCs. Irrespective of the studied solvents and co-presence of IND and QUI, the composite adsorbent performed ADN most effectively. This remarkable improvement is explained by the additional mechanism of hydrogen bonding between the surface functional groups of GnO and the hydrogen attached to the nitrogen atom of IND. This hydrogen bonding mechanism is also supported by the results of the adsorption of pyrrole and methylpyrrole. On the other hand, QUI does not show hydrogen-bonding capability, and therefore, its enhanced adsorption originates from only the increased porosity of the adsorbents.

  19. Development of an installation for the production of high-purity hydrogen using the pressure-swing-adsorption process with coke-oven gas as feedstock

    Energy Technology Data Exchange (ETDEWEB)

    Nakamura, M; Sugishita, M

    1986-04-01

    This paper describes how Nippon Steel developed a process for producing high-purity hydrogen using the PSA method with coke-oven gas as a feedstock. The process comprises a gas-compression and gas-cooling stage, a pre-treatment stage, an adsorption stage, a de-oxygenation stage and various control and maintenance devices, etc. The triple-tower plant constructed is the equivalent of a four-tower conventional installation, with a maximum capacity of around 10,000 Nm/sup 3//h. 1 tab., 14 figs., 3 refs.

  20. Effects of van der Waals density functional corrections on trends in furfural adsorption and hydrogenation on close-packed transition metal surfaces

    Science.gov (United States)

    Liu, Bin; Cheng, Lei; Curtiss, Larry; Greeley, Jeffrey

    2014-04-01

    The hydrogenation of furfural to furfuryl alcohol on Pd(111), Cu(111) and Pt(111) is studied with both standard Density Functional Theory (DFT)-GGA functionals and with van der Waals-corrected density functionals. VdW-DF functionals, including optPBE, optB88, optB86b, and Grimme's method, are used to optimize the adsorption configurations of furfural, furfuryl alcohol, and related intermediates resulting from hydrogenation of furfural, and the results are compared to corresponding values determined with GGA functionals, including PW91 and PBE. On Pd(111) and Pt(111), the adsorption geometries of the intermediates are not noticeably different between the two classes of functionals, while on Cu(111), modest changes are seen in both the perpendicular distance and the orientation of the aromatic ring with respect to the planar surface. In general, the binding energies increase substantially in magnitude as a result of van der Waals contributions on all metals. In contrast, however, dispersion effects on the kinetics of hydrogenation are relatively small. It is found that activation barriers are not significantly affected by the inclusion of dispersion effects, and a Brønsted-Evans-Polanyi relationship developed solely from PW91 calculations on Pd(111) is capable of describing corresponding results on Cu(111) and Pt(111), even when the dispersion effects are included. Finally, the reaction energies and barriers derived from the dispersion-corrected and pure GGA calculations are used to plot simple potential energy profiles for furfural hydrogenation to furfuryl alcohol on the three considered metals, and an approximately constant downshift of the energetics due to the dispersion corrections is observed.

  1. Bottled Water and Fluoride

    Science.gov (United States)

    ... Private Wells Infant Formula Fluorosis Public Health Service Recommendation Water Operators & Engineers Water Fluoridation Additives Shortages of Fluoridation Additives Drinking Water Pipe Systems CDC-Sponsored Water Fluoridation Training Links to Other ...

  2. Other Fluoride Products

    Science.gov (United States)

    ... Private Wells Infant Formula Fluorosis Public Health Service Recommendation Water Operators & Engineers Water Fluoridation Additives Shortages of Fluoridation Additives Drinking Water Pipe Systems CDC-Sponsored Water Fluoridation Training Links to Other ...

  3. Study of the influence of adsorption of oxygen, hydrogen and water on radiation-induced thermally activated currents of magnesium oxide

    International Nuclear Information System (INIS)

    Wysocki, S.

    1985-01-01

    Recently, radiation-induced thermally activated currents (RITAC) have been studied in purified and magnesium-doped lithium fluoride. In the RITAC method, the electric field is applied at low temperature, only during irradiation. The present paper deals with the dipolar complexes generated by γ-radiations in the surface region of magnesium oxide in vacuum and in the presence of oxygen, hydrogen and water. Spectrally pure MgO single crystal spectrally pure oxygen and hydrogen and doubly distilled water were used. The electrodes were deposited on the (100) surface of MgO single crystal by vacuum evaporation of gold. Experimental details are given. A figure shows the thermally activated depolarization (TAD) curve for MgO in vacuum. In a TAD experiment, the sample was subjected to a constant electric field at 700 K and cooled. Upon reaching room temperature the electric field was removed In this case we observed a single peak at Tsub(max) = 511 K. A figure shows RITAC curves for an MgO sample in vacuum after irradiation. The results are shown and discussed. (author)

  4. Fluoride absorption: independence from plasma fluoride levels

    International Nuclear Information System (INIS)

    Whitford, G.M.; Williams, J.L.

    1986-01-01

    The concept that there are physiologic mechanisms to homeostatically regulate plasma fluoride concentrations has been supported by results in the literature suggesting an inverse relationship between plasma fluoride levels and the absorption of the ion from the gastrointestinal tract of the rat. The validity of the relationship was questioned because of possible problems in the experimental design. The present work used four different methods to evaluate the effect of plasma fluoride levels on the absorption of the ion in rats: (i) the percentage of the daily fluoride intake that was excreted in the urine; (ii) the concentration of fluoride in femur epiphyses; (iii) the net areas under the time-plasma fluoride concentration curves after intragastric fluoride doses; and (iv) the residual amounts or fluoride in the gastrointestinal tracts after the intragastric fluoride doses. None of these methods indicated that plasma fluoride levels influence the rate or the degree or fluoride absorption. It was concluded that, unless extremely high plasma fluoride levels are involved (pharmacologic or toxic doses), the absorption of the ion is independent of plasma levels. The results provide further evidence that plasma fluoride concentrations are not homeostatically regulated

  5. Hydrogen adsorption in microporous alkali-doped carbons (single-wall carbon nano-tubes and activated carbons)

    International Nuclear Information System (INIS)

    Laurent Duclaux; Szymon Los; Michel Letellier; Philippe Azais; Roland Pellenq; Thomas Roussel; Xavier Fuhr

    2006-01-01

    Doping of microporous carbon by Li or K leads to an increase in the energy of adsorption of H 2 or D 2 molecules. Thus, the room temperature sorption capacities (at P≤3 MPa) can be higher than the ones of the raw materials after slight doping. However, the maximum H 2 (or D 2 ) storage uptake measured at T≤ 77 K is lower than the one of pristine materials as the sites of adsorption are occupied by alkali ions inserted in the micropores. The microporous adsorption sites of doped single-walled carbon nano-tubes, identified by neutron diffraction, are both the interstitial voids (in electric-arc or HiPCO tubes) in between the tubes and the central canals of the tubes (only in HiPCO tubes). (authors)

  6. Sorption of fluoride using chemically modified Moringa oleifera leaves

    Science.gov (United States)

    Dan, Shabnam; Chattree, Amit

    2018-05-01

    Contamination of drinking water due to fluoride is a severe health hazard problem. Excess of fluoride (> 1.5 mg/L) in drinking water is harmful to human health. Various treatment technologies for removing fluoride from groundwater have been investigated. The present study showed that the leaves of Moringa oleifera, a herbal plant is an effective adsorbent for the removal of fluoride from aqueous solution. Acid treated Moringa oleifera leaves powder showed good adsorption capacity than alkali treated Moringa oleifera leaves powder. Batch sorptive defluoridation was conducted under the variable experimental condition such as pH, contact time, adsorbent dose and initial fluoride ion concentration. Maximum defluoridation was achieved at pH 1. The percentage of fluoride removal increases with adsorbent dose. The equilibrium sorption data were fitted into Langmuir, Freundlich and Temkin isotherms. Of the three adsorption isotherms, the R 2 value of Langmuir isotherm model was the highest. The maximum monolayer coverage ( Q max) from Langmuir isotherm model was determined to be 1.1441 mg/g, the separation factor indicating a favorable sorption experiment is 0.035. It was also discovered that the adsorption did not conform to the Freundlich adsorption isotherm. The heat of sorption process was estimated from Temkin Isotherm model to be - 0.042 J/mol which vividly proved that the adsorption experiment followed a physical process.

  7. Adsorption of charged and neutral polymer chains on silica surfaces: The role of electrostatics, volume exclusion, and hydrogen bonding

    NARCIS (Netherlands)

    Spruijt, Evan; Biesheuvel, P.M.; de Vos, Wiebe Matthijs

    2015-01-01

    We develop an off-lattice (continuum) model to describe the adsorption of neutral polymer chains and polyelectrolytes to surfaces. Our continuum description allows taking excluded volume interactions between polymer chains and ions directly into account. To implement those interactions, we use a

  8. Kelvin probe force microscopy studies of the charge effects upon adsorption of carbon nanotubes and C60 fullerenes on hydrogen-terminated diamond

    Science.gov (United States)

    Kölsch, S.; Fritz, F.; Fenner, M. A.; Kurch, S.; Wöhrl, N.; Mayne, A. J.; Dujardin, G.; Meyer, C.

    2018-01-01

    Hydrogen-terminated diamond is known for its unusually high surface conductivity that is ascribed to its negative electron affinity. In the presence of acceptor molecules, electrons are expected to transfer from the surface to the acceptor, resulting in p-type surface conductivity. Here, we present Kelvin probe force microscopy (KPFM) measurements on carbon nanotubes and C60 adsorbed onto a hydrogen-terminated diamond(001) surface. A clear reduction in the Kelvin signal is observed at the position of the carbon nanotubes and C60 molecules as compared with the bare, air-exposed surface. This result can be explained by the high positive electron affinity of carbon nanotubes and C60, resulting in electron transfer from the surface to the adsorbates. When an oxygen-terminated diamond(001) is used instead, no reduction in the Kelvin signal is obtained. While the presence of a charged adsorbate or a difference in work function could induce a change in the KPFM signal, a charge transfer effect of the hydrogen-terminated diamond surface, by the adsorption of the carbon nanotubes and the C60 fullerenes, is consistent with previous theoretical studies.

  9. Fluoride removal performance of glass derived hydroxyapatite

    International Nuclear Information System (INIS)

    Liang, Wen; Zhan, Lei; Piao, Longhua; Russel, Christian

    2011-01-01

    Research highlights: → Novel sodium calcium borate glass derived hydroxyapatite (G-HAP) is prepared. → Micro-G-HAP adsorbs F - ions in solutions more effectively than commercial nano-HAP. → The adsorption kinetics and isotherms are well fitted by a second order kinetic model and Freundlich isotherm model. -- Abstract: A novel sodium calcium borate glass derived hydroxyapatite (G-HAP) with different ranges of particle size was prepared by immersion sodium calcium borate glass in 0.1 M K 2 HPO 4 solution by the ratio of 50 g L -1 for 7 days. The unique advantage of G-HAP for the adsorption of fluoride ions in solutions was studied. The effects of size and quantity of particles, pH value and adsorption time on adsorption performance were investigated. The maximum adsorption capacity was 17.34 mg g -1 if 5 g L -1 , - in solution more effectively than commercial nano-HAP, which makes potential application of the G-HAP in removing the fluoride ions from wastewater. The adsorption kinetics and isotherms for F - could be well fitted by a second order kinetic model and Freundlich isotherm model respectively, which could be used to describe the adsorption behavior. The mechanism of G-HAP in immobilizing F - from aqueous solutions was investigated by the X-ray diffraction (XRD), infrared spectra (IR) and scanning electron microscopy (SEM).

  10. Hydrogen.

    Science.gov (United States)

    Bockris, John O'M

    2011-11-30

    The idea of a "Hydrogen Economy" is that carbon containing fuels should be replaced by hydrogen, thus eliminating air pollution and growth of CO₂ in the atmosphere. However, storage of a gas, its transport and reconversion to electricity doubles the cost of H₂ from the electrolyzer. Methanol made with CO₂ from the atmosphere is a zero carbon fuel created from inexhaustible components from the atmosphere. Extensive work on the splitting of water by bacteria shows that if wastes are used as the origin of feed for certain bacteria, the cost for hydrogen becomes lower than any yet known. The first creation of hydrogen and electricity from light was carried out in 1976 by Ohashi et al. at Flinders University in Australia. Improvements in knowledge of the structure of the semiconductor-solution system used in a solar breakdown of water has led to the discovery of surface states which take part in giving rise to hydrogen (Khan). Photoelectrocatalysis made a ten times increase in the efficiency of the photo production of hydrogen from water. The use of two electrode cells; p and n semiconductors respectively, was first introduced by Uosaki in 1978. Most photoanodes decompose during the photoelectrolysis. To avoid this, it has been necessary to create a transparent shield between the semiconductor and its electronic properties and the solution. In this way, 8.5% at 25 °C and 9.5% at 50 °C has been reached in the photo dissociation of water (GaP and InAs) by Kainthla and Barbara Zeleney in 1989. A large consortium has been funded by the US government at the California Institute of Technology under the direction of Nathan Lewis. The decomposition of water by light is the main aim of this group. Whether light will be the origin of the post fossil fuel supply of energy may be questionable, but the maximum program in this direction is likely to come from Cal. Tech.

  11. Highly selective and efficient removal of fluoride from ground water by layered Al-Zr-La Tri-metal hydroxide

    Science.gov (United States)

    Zhou, Jian; Zhu, Wenkun; Yu, Jie; Zhang, Hongping; Zhang, Yongde; Lin, Xiaoyan; Luo, Xuegang

    2018-03-01

    A novel layered Zr-Al-La tri-metal composite (AZL) was fabricated via co-precipitation method for fluoride removal. The as-prepared adsorbent was characterized by various technologies, and its adsorption behaviors to fluoride were thoroughly carried out to investigate the fluoride removal performance. The results showed that the layered structure existed and the AZL exhibited the maximum adsorption capacity of 90.48 mg g-1 at 308 K and pH 3.0 from the Langmuir isotherm model. The adsorption kinetics was well fitted by the pseudo-second-order equation, and the adsorption isotherms were well described by the Langmuir equation. Adsorption thermodynamics result was indicative of endothermic reaction in the process of adsorption of AZL to fluoride. The as-prepared AZL composite has excellent fluoride removal performance for the practical ground water and satisfies the permissible limit of fluoride in drinking water recommended by Chinese Standard. In addition, based on the characterization, the adsorption mechanism of fluoride on AZL was proposed, including electrostatic interaction between the protonated surface of AZL and fluoride, as well as ion-exchange by hydroxyl group and fluoride.

  12. The influence of oxygen and hydrogen adsorption on the magneticstructure of the ultrathin iron film on the Ir(001) surface

    Czech Academy of Sciences Publication Activity Database

    Máca, František; Kudrnovský, Josef; Drchal, Václav; Redinger, J.

    2013-01-01

    Roč. 88, č. 4 (2013), "045423-1"-"045423-7" ISSN 1098-0121 R&D Projects: GA AV ČR IAA100100912; GA ČR GA202/09/0775 Institutional support: RVO:68378271 Keywords : surface magnetism * magnetic overlayer * gas adsorption * magnetic phase stability * density functional calculation * STM Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.664, year: 2013

  13. Adsorption of Hydrogen and Potassium on GaAs(110) Studied by Time-of-Flight Scattering and Recoiling Spectrometry

    International Nuclear Information System (INIS)

    Gayone, J.E.

    2000-01-01

    We study the adsorption of H and K on a GaAs(ll0) surface by Time-of-Flight Ion-Scattering (ISS) and Direct Recoiling (DRS) Spectrometry. The method for cleaning and preparation of the surface consists on cycles of grazing bombardment with 20 keV Ar+ combined with annealing. Since this is the first time that this method is applied to a semiconductor surface, the crystallographic structure of the grazing ion bombarded surface is first characterized by ISS and DRS. The variations of the projectile scattered intensity as a function of the incident and azimuthal angles are interpreted in terms of calculated shadowing and focusing effects. The crystallographic structure of the GaAs(ll0) surface prepared by this method presents the surface relaxation observed for cleaved surfaces. The adsorption of H on GaAs(ll0) is studied as a function of the H 2 exposure and the surface temperature.The behavior of the intensity of projectiles scattered from the first two As and Ga layers is consistent with a process of unrelaxation towards the ideal surface termination upon H adsorption. We have determined that for exposures of 1000 L and 2000 L the AsI-GaI splitting corresponding to the unrelaxed surface is reduced to ΔZ = (0.0 n 0.08) A, as it should be expected for the bulk terminated surface. In addition, the fraction of the surface remaining relaxed as in the clean surface decreases strongly with the H 2 exposure. The H atoms adsorbed on the surface can be detected as recoils produced in quasi-single collisions allowing the study of the adsorption kinetics. The variations of the H recoil intensity with the exposure show that the sticking coefficient changes strongly with the H coverage since the beginning the adsorption. Above ∼ 500 L, the adsorption kinetics deviates from the initial behavior and the sticking coefficient becomes almost constant and small. The simultaneous measurements of the H coverage (with DRS) and the changes in the atomic structure (with ISS) as a

  14. Hydrogen

    Directory of Open Access Journals (Sweden)

    John O’M. Bockris

    2011-11-01

    Full Text Available The idea of a “Hydrogen Economy” is that carbon containing fuels should be replaced by hydrogen, thus eliminating air pollution and growth of CO2 in the atmosphere. However, storage of a gas, its transport and reconversion to electricity doubles the cost of H2 from the electrolyzer. Methanol made with CO2 from the atmosphere is a zero carbon fuel created from inexhaustible components from the atmosphere. Extensive work on the splitting of water by bacteria shows that if wastes are used as the origin of feed for certain bacteria, the cost for hydrogen becomes lower than any yet known. The first creation of hydrogen and electricity from light was carried out in 1976 by Ohashi et al. at Flinders University in Australia. Improvements in knowledge of the structure of the semiconductor-solution system used in a solar breakdown of water has led to the discovery of surface states which take part in giving rise to hydrogen (Khan. Photoelectrocatalysis made a ten times increase in the efficiency of the photo production of hydrogen from water. The use of two electrode cells; p and n semiconductors respectively, was first introduced by Uosaki in 1978. Most photoanodes decompose during the photoelectrolysis. To avoid this, it has been necessary to create a transparent shield between the semiconductor and its electronic properties and the solution. In this way, 8.5% at 25 °C and 9.5% at 50 °C has been reached in the photo dissociation of water (GaP and InAs by Kainthla and Barbara Zeleney in 1989. A large consortium has been funded by the US government at the California Institute of Technology under the direction of Nathan Lewis. The decomposition of water by light is the main aim of this group. Whether light will be the origin of the post fossil fuel supply of energy may be questionable, but the maximum program in this direction is likely to come from Cal. Tech.

  15. Removal of fluoride ions from aqueous solution by waste mud

    International Nuclear Information System (INIS)

    Kemer, Baris; Ozdes, Duygu; Gundogdu, Ali; Bulut, Volkan N.; Duran, Celal; Soylak, Mustafa

    2009-01-01

    The present study was carried out to assess the ability of original waste mud (o-WM) and different types of activated waste mud which are acid-activated (a-WM) and precipitated waste mud (p-WM), in order to remove excess of fluoride from aqueous solution by using batch technique. The p-WM exhibited greater performance than the others. Adsorption studies were conducted as a function of pH, contact time, initial fluoride concentration, adsorbent concentration, temperature, etc. Studies were also performed to understand the effect of some co-existing ions present in aqueous solutions. Adsorption process was found to be almost independent of pH for all types of waste mud. Among the kinetic models tested for p-WM, pseudo-second-order model fitted the kinetic data well with a perfect correlation coefficient value of 1.00. It was found that the adequate time for the adsorption equilibrium of fluoride was only 1 h. Thermodynamic parameters including the Gibbs free energy (ΔG o ), enthalpy (ΔH o ), and entropy (ΔS o ) revealed that adsorption of fluoride ions on the p-WM was feasible, spontaneous and endothermic in the temperature range of 0-40 deg. C. Experimental data showed a good fit with the Langmuir and Freundlich adsorption isotherm models. Results of this study demonstrated the effectiveness and feasibility of WM for removal of fluoride ions from aqueous solution.

  16. Removal of fluoride ions from aqueous solution by waste mud

    Energy Technology Data Exchange (ETDEWEB)

    Kemer, Baris; Ozdes, Duygu; Gundogdu, Ali; Bulut, Volkan N.; Duran, Celal [Karadeniz Technical University, Faculty of Arts and Sciences, Department of Chemistry, 61080 Trabzon (Turkey); Soylak, Mustafa, E-mail: soylak@erciyes.edu.tr [Erciyes University, Faculty of Arts and Sciences, Department of Chemistry, 38039 Kayseri (Turkey)

    2009-09-15

    The present study was carried out to assess the ability of original waste mud (o-WM) and different types of activated waste mud which are acid-activated (a-WM) and precipitated waste mud (p-WM), in order to remove excess of fluoride from aqueous solution by using batch technique. The p-WM exhibited greater performance than the others. Adsorption studies were conducted as a function of pH, contact time, initial fluoride concentration, adsorbent concentration, temperature, etc. Studies were also performed to understand the effect of some co-existing ions present in aqueous solutions. Adsorption process was found to be almost independent of pH for all types of waste mud. Among the kinetic models tested for p-WM, pseudo-second-order model fitted the kinetic data well with a perfect correlation coefficient value of 1.00. It was found that the adequate time for the adsorption equilibrium of fluoride was only 1 h. Thermodynamic parameters including the Gibbs free energy ({Delta}G{sup o}), enthalpy ({Delta}H{sup o}), and entropy ({Delta}S{sup o}) revealed that adsorption of fluoride ions on the p-WM was feasible, spontaneous and endothermic in the temperature range of 0-40 deg. C. Experimental data showed a good fit with the Langmuir and Freundlich adsorption isotherm models. Results of this study demonstrated the effectiveness and feasibility of WM for removal of fluoride ions from aqueous solution.

  17. Fluoride varnish or fluoride mouth rinse?

    DEFF Research Database (Denmark)

    Keller, M K; Klausen, BJ; Twetman, S

    2016-01-01

    OBJECTIVE: In many Danish communities, school-based fluoride programs are offered to children with high caries risk in adjunct to tooth brushing. The purpose of this field trial was to compare the caries-preventive effectiveness of two different fluoride programs in 6-12 year olds. BASIC RESEARCH...... different schools were enrolled after informed consent and their class unit was randomly allocated to one of two fluoride programs. INTERVENTIONS: One group received a semi-annual fluoride varnish applications (FV) and the other group continued with an existing program with fluoride mouth rinses once per...... in caries development over two years among children participating in a school-based fluoride varnish or mouth rinse program....

  18. FLUORIDE REMOVAL BY ADSORPTION ON THERMALLY ...

    African Journals Online (AJOL)

    Preferred Customer

    includes various countries from Africa and Asia as well as USA [1]. ... low costs make them potential candidates for the defluoridation in remote rural areas. It is ..... Chaturvedi, A.K.; Yadava, K.P.; Pathak, K.C.; Singh, V.N. Water, Air Soil Pollut.

  19. Facile synthesis of hydroxy-modified MOF-5 for improving the adsorption capacity of hydrogen by lithium doping.

    Science.gov (United States)

    Kubo, Masaru; Hagi, Hayato; Shimojima, Atsushi; Okubo, Tatsuya

    2013-11-01

    A facile synthesis of partially hydroxy-modified MOF-5 and its improved H2-adsorption capacity by lithium doping are reported. The reaction of Zn(NO3)2·6H2O with a mixture of terephthalic acid (H2BDC) and 2-hydroxyterephthalic acid (H2BDC-OH) in DMF gave hydroxy-modified MOF-5 (MOF-5-OH-x), in which the molar fraction (x) of BDC-OH(2-) was up to 0.54 of the whole ligand. The MOF-5-OH-x frameworks had high BET surface areas (about 3300 m(2) g(-1)), which were comparable to that of MOF-5. We suggest that the MOF-5-OH-x frameworks are formed by the secondary growth of BDC(2-)-rich MOF-5 seed crystals, which are nucleated during the early stage of the reaction. Subsequent Li doping into MOF-5-OH-x results in increased H2 uptake at 77 K and 0.1 MPa from 1.23 to 1.39 wt.% and an increased isosteric heat of H2 adsorption from 5.1-4.2 kJ mol(-1) to 5.5-4.4 kJ mol(-1). Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Calcium fluoride

    International Nuclear Information System (INIS)

    King, C.W.; Nestor, O.H.

    1989-01-01

    A new process for producing large, single, oriented crystals of calcium fluoride (CaF 2 ) has been developed which overcomes the limitations of current growing methods. This process has been reduced to practice and has yielded oriented crystals 17.5 x 17.5 x 5 cm 3 . Currently nearing completion is a system for producing 35 x 35 x 7.5 cm 3 single crystals. A scale up to one-meter-square is considered feasible. This crystal growing process makes possible the fabrication of very large CaF 2 windows. Suitability for very high power lasers, however, requires attention to properties beyond mere size. A process to generate higher purity growth stock (starting material) was also developed. The additional purification of the growth stock contributes to lower bulk absorption, the absence of color centers and increased radiation hardness. Also identified were several specific impurities which correlate with radiation hardness. A correlation was found between color centers induced by laser radiation and ionizing radiation. Other CaF 2 crystal properties such as tensile strength, absorption and laser damage thresholds were studied and are discussed

  1. Fluoride removal from water by nano filtration

    International Nuclear Information System (INIS)

    Bejaoui, Imen; Mnif, Amine; Hamrouni, Bechir

    2009-01-01

    As any oligo element, fluoride is necessary and beneficial for human health to low concentrations, but an excess amount of fluoride ions in drinking water has been known to cause undesirable effects, especially tooth and bones fluoro sis. The maximum acceptable concentration of fluoride in drinking water was fixed by the World Health Organization according to the climate in the range of 1 mg.L -1 to 1,2 mg.L -1 . Many methods have been used to remove fluoride from water such as precipitation, adsorption, electrocoagulation and membrane processes. Technologies using membrane processes are being used in many applications, particularly for brackish water desalination. Nano filtration seems to be the best process for a good selective defluorination of fluorinated waters. The main objective of this work was to investigate the retention of fluoride anions by nano filtration. The first part of this study deals with the characterisation of the NF HL2514TF membrane. The influence of various experimental parameters such as initial fluoride content, feed pressure, permeate flux, ionic strength, type of cation associated to fluoride and pH were studied in the second part. Results show that the retention order for the salts tested was TR(Na 2 SO 4 ) > TR(CaCl 2 ) > TR(NaCl), showing a retention sequence inversely proportional to the salt diffusion coefficients in water. It was also shown that charge effects could not be neglected, and a titration experiments confirmed that the NF membrane carry a surplus of negatively charged groups. Fluoride retention exceeds 60 pour cent, and increases with increasing concentration, where the rejection mechanism is related to the dielectric effects. Speigler-Kedem model was applied to experimental results in the aim to determine phenomenological parametersσand P s respectively, the reflexion coefficient of the membrane and the solute permeability of ions. The convective and diffusive parts of the mass transfer were quantified with

  2. Story of Fluoridation

    Science.gov (United States)

    ... Home Health Info Health Topics Fluoride Share The Story of Fluoridation It started as an observation, that ... this time using photospectrographic analysis, a more sophisticated technology than that used by McKay. Churchill asked an ...

  3. Fluoride in diet

    Science.gov (United States)

    Diet - fluoride ... bones and teeth. Too much fluoride in the diet is very rare. Rarely, infants who get too ... of essential vitamins is to eat a balanced diet that contains a variety of foods from the ...

  4. Fluoride metabolism in plants

    Energy Technology Data Exchange (ETDEWEB)

    Peters, R; Shorthouse, M

    1964-04-04

    Grass seedlings exposed to inorganic fluoride solutions do not take up appreciable amounts of fluoride until concentrations of more than 1.0 mM (19 p.p.m.) are used. No formation of organic fluoride has been found, even with exposure to 15.75 mM fluoride, indicating that there is no formation of fluoroacetate or similar compounds. 8 references, 2 tables.

  5. Electrocatalytic activity of a mononuclear yttrium(III)–methyl orange complex and Y{sub 2}O{sub 2}SO{sub 4} nanoparticles for adsorption/desorption of hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Shafaie, Fahimeh [Department of Chemistry, Isfahan University of Technology, Isfahan, 84156-83111 (Iran, Islamic Republic of); Hadadzadeh, Hassan, E-mail: hadad@cc.iut.ac.ir [Department of Chemistry, Isfahan University of Technology, Isfahan, 84156-83111 (Iran, Islamic Republic of); Behnamfar, Mohammad Taghi [Department of Chemistry, Isfahan University of Technology, Isfahan, 84156-83111 (Iran, Islamic Republic of); Rudbari, Hadi Amiri [Faculty of Chemistry, University of Isfahan, Isfahan, 81746-73441 (Iran, Islamic Republic of)

    2016-12-01

    A new mononuclear yttrium(III) complex, [Y(MO){sub 3}(DMF){sub 3}(H{sub 2}O){sub 2}] (where MO{sup –} is methyl orange anion (4-[(4-dimethylamino)phenyldiazenyl]benzenesulfonate)), was synthesized in an aqueous solution. The complex was characterized by elemental analysis, UV/Vis, FT-IR, and single-crystal X-ray crystallography. The yttrium oxysulfate nanoparticles (Y{sub 2}O{sub 2}SO{sub 4}) were then prepared by calcination of [Y(MO){sub 3}(DMF){sub 3}(H{sub 2}O){sub 2}]. The obtained nanoparticles were characterized by FT-IR, X-ray diffraction analysis (XRD), and field-emission scanning electron microscopy (FE-SEM). The hydrogen adsorption/desorption (H{sub ads}/H{sub des}) behavior of the Y(III) complex and Y{sub 2}O{sub 2}SO{sub 4} nanoparticles was studied at a carbon paste electrode (CPE) in H{sub 2}SO{sub 4} by cyclic voltammetry (CV). The recorded voltammograms exhibited a pair of peaks corresponding to the adsorption/desorption of hydrogen for the Y(III) complex and Y{sub 2}O{sub 2}SO{sub 4} nanoparticles. The results show a reversible hydrogen adsorption/desorption reaction for both compounds. The voltammograms of the nanoparticles indicate an excellent cycling stability for the adsorption/desorption of hydrogen. In addition, the linear sweep voltammetry (LSV) technique was used to investigate the electrocatalytic activity of both compounds for the hydrogen adsorption reaction. The linear voltammograms of both compounds demonstrate the excellent electrocatalytic activity for the hydrogen adsorption reaction. - Highlights: • Preparation of a new Y(III) complex and Y{sub 2}O{sub 2}SO{sub 4} nanoparticles. • Investigation of the H{sub ads}/H{sub des} reaction for both compounds by voltammetry. • Observation of two peaks corresponding to the H{sub ads}/H{sub des} in both compounds. • An excellent cycling stability for the nanoparticles in H{sub 2}SO{sub 4}.

  6. Fundamentals of high pressure adsorption

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Y.P.; Zhou, L. [Tianjin University, Tianjin (China). High Pressure Adsorption Laboratory

    2009-12-15

    High-pressure adsorption attracts research interests following the world's attention to alternative fuels, and it exerts essential effect on the study of hydrogen/methane storage and the development of novel materials addressing to the storage. However, theoretical puzzles in high-pressure adsorption hindered the progress of application studies. Therefore, the present paper addresses the major theoretical problems that challenged researchers: i.e., how to model the isotherms with maximum observed in high-pressure adsorption; what is the adsorption mechanism at high pressures; how do we determine the quantity of absolute adsorption based on experimental data. Ideology and methods to tackle these problems are elucidated, which lead to new insights into the nature of high-pressure adsorption and progress in application studies, for example, in modeling multicomponent adsorption, hydrogen storage, natural gas storage, and coalbed methane enrichment, was achieved.

  7. Adsorption behavior and current-voltage characteristics of CdSe nanocrystals on hydrogen-passivated silicon

    DEFF Research Database (Denmark)

    Walzer, Karsten; Quaade, Ulrich; Ginger, D.S.

    2002-01-01

    Using scanning tunneling microscopy and spectroscopy we have studied both the geometric distribution and the conduction properties of organic shell capped CdSe nanocrystals adsorbed on hydrogen-passivated Si(100). At submonolayer concentrations, the nanocrystal distribution on the surface was found...... found that the current through the MIS junction is limited by the nanocrystals only in one bias direction, while in the other bias direction the current is limited by the semiconducting substrate. This property may be of relevance for the construction of hybrid electronic devices combining semiconductor...

  8. Effect of fluoride pretreatment on the solubility of synthetic carbonated apatite.

    Science.gov (United States)

    Barry, A B; Zhuang, H; Baig, A A; Higuchi, W I

    2003-03-01

    The purpose of this research was to address the following question: How is the solubility of fluoride-pretreated carbonated apatite (CAP) in aqueous acidic media related to the equilibrium solution fluoride and/or the CAP adsorbed fluoride levels? A CAP sample prepared by a precipitation method at 70 degrees C containing approximately 6% carbonate was fluoride-treated (F adsorption from neutral aqueous solutions) to yield a approximately 1000 ppm F CAP and a approximately 3300 ppm F CAP. Metastable equilibrium solubility distributions were determined in acetate buffers at pH 5.0. Solution fluoride, calcium, phosphate, and pH were determined from the equilibrated solutions. The equilibrium solution fluoride levels were extremely low, e.g., as low as approximately 0.10 ppb to approximately 0.30 ppb at 50% dissolved for the two CAP preparations. The approximately 3300 ppm F CAP yielded a lower solubility than the approximately 1000 ppm F CAP (shift in the mean pKHAP value of 1.5-2 units). This can be attributed to the lower solution F(-) for the sample containing approximately 1000 ppm fluoride compared with the approximately 3300 ppm fluoride-containing CAP. These important findings suggest that a fluoride treatment simply may provide an adsorption fluoride depot for subsequent release, providing a solution fluoride effect upon the CAP solubility and not necessarily any intrinsic alteration of the mineral solubility.

  9. Does fluoride disrupt hydrogen bond network in cationic lipid bilayer? Time-dependent fluorescence shift of Laurdan and molecular dynamics simulations

    Czech Academy of Sciences Publication Activity Database

    Pokorná, Šárka; Jurkiewicz, Piotr; Vazdar, M.; Cwiklik, Lukasz; Jungwirth, Pavel; Hof, Martin

    2014-01-01

    Roč. 141, č. 22 (2014), 22D516 ISSN 0021-9606 R&D Projects: GA ČR GBP208/12/G016 Institutional support: RVO:61388955 ; RVO:61388963 Keywords : fluorescence sfifts * Cationic lipids * Hydrogen bond networks Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.952, year: 2014

  10. Analysis of the interactions between difluoroacetylene and one or two hydrogen fluoride molecules based on calculated spin–spin coupling constants

    DEFF Research Database (Denmark)

    Provasi, Patricio F.; Caputo, María Cristina; Sauer, Stephan P. A.

    2012-01-01

    A theoretical study of FCCF:(HF)n complexes, with n = 1 and 2, has been carried out by means of ab initio computational methods. Two types of complexes are formed: those with FH···p interactions and those with FH···FC hydrogen bonds. The indirect spin–spin coupling constants have been calculated ...

  11. Li2 NH-LiBH4 : a Complex Hydride with Near Ambient Hydrogen Adsorption and Fast Lithium Ion Conduction.

    Science.gov (United States)

    Wang, Han; Cao, Hujun; Zhang, Weijin; Chen, Jian; Wu, Hui; Pistidda, Claudio; Ju, Xiaohua; Zhou, Wei; Wu, Guotao; Etter, Martin; Klassen, Thomas; Dornheim, Martin; Chen, Ping

    2018-01-26

    Complex hydrides have played important roles in energy storage area. Here a complex hydride made of Li 2 NH and LiBH 4 was synthesized, which has a structure tentatively indexed using an orthorhombic cell with a space group of Pna2 1 and lattice parameters of a=10.121, b=6.997, and c=11.457 Å. The Li 2 NH-LiBH 4 sample (in a molar ratio of 1:1) shows excellent hydrogenation kinetics, starting to absorb H 2 at 310 K, which is more than 100 K lower than that of pristine Li 2 NH. Furthermore, the Li + ion conductivity of the Li 2 NH-LiBH 4 sample is about 1.0×10 -5  S cm -1 at room temperature, and is higher than that of either Li 2 NH or LiBH 4 at 373 K. Those unique properties of the Li 2 NH-LiBH 4 complex render it a promising candidate for hydrogen storage and Li ion conduction. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Computer simulation study of in-zeolites templated carbon replicas: structural and adsorption properties for hydrogen storage application

    International Nuclear Information System (INIS)

    Roussel, T.

    2007-05-01

    Hydrogen storage is the key issue to envisage this gas for instance as an energy vector in the field of transportation. Porous carbons are materials that are considered as possible candidates. We have studied well-controlled microporous carbon nano-structures, carbonaceous replicas of meso-porous ordered silica materials and zeolites. We realized numerically (using Grand Canonical Monte Carlo Simulations, GCMC) the atomic nano-structures of the carbon replication of four zeolites: AlPO 4 -5, silicalite-1, and Faujasite (FAU and EMT). The faujasite replicas allow nano-casting of a new form of carbon crystalline solid made of tetrahedrally or hexagonally interconnected single wall nano-tubes. The pore size networks are nano-metric giving these materials optimized hydrogen molecular storage capacities (for pure carbon phases). However, we demonstrate that these new carbon forms are not interesting for room temperature efficient storage compared to the void space of a classical gas cylinder. We showed that doping with an alkaline element, such as lithium, one could store the same quantities at 350 bar compared to a classical tank at 700 bar. This result is a possible route to achieve interesting performances for on-board docking systems for instance. (author)

  13. Fluoride removal performance of glass derived hydroxyapatite

    Energy Technology Data Exchange (ETDEWEB)

    Liang, Wen, E-mail: wliang@ecust.edu.cn [Research Institute of Biomaterials, School of Materials Science and Engineering, East China University of Science and Technology (China); Zhan, Lei; Piao, Longhua [Research Institute of Biomaterials, School of Materials Science and Engineering, East China University of Science and Technology (China); Russel, Christian [Otto-Schott-Institut, Universitaet Jena, Jena (Germany)

    2011-02-15

    Research highlights: {yields} Novel sodium calcium borate glass derived hydroxyapatite (G-HAP) is prepared. {yields} Micro-G-HAP adsorbs F{sup -} ions in solutions more effectively than commercial nano-HAP. {yields} The adsorption kinetics and isotherms are well fitted by a second order kinetic model and Freundlich isotherm model. -- Abstract: A novel sodium calcium borate glass derived hydroxyapatite (G-HAP) with different ranges of particle size was prepared by immersion sodium calcium borate glass in 0.1 M K{sub 2}HPO{sub 4} solution by the ratio of 50 g L{sup -1} for 7 days. The unique advantage of G-HAP for the adsorption of fluoride ions in solutions was studied. The effects of size and quantity of particles, pH value and adsorption time on adsorption performance were investigated. The maximum adsorption capacity was 17.34 mg g{sup -1} if 5 g L{sup -1}, <100 {mu}m G-HAP was added to a solution with an initial pH value of 6.72 and the adsorption time was 12 h. The results showed that the micro-G-HAP could immobilize F{sup -} in solution more effectively than commercial nano-HAP, which makes potential application of the G-HAP in removing the fluoride ions from wastewater. The adsorption kinetics and isotherms for F{sup -} could be well fitted by a second order kinetic model and Freundlich isotherm model respectively, which could be used to describe the adsorption behavior. The mechanism of G-HAP in immobilizing F{sup -} from aqueous solutions was investigated by the X-ray diffraction (XRD), infrared spectra (IR) and scanning electron microscopy (SEM).

  14. Fluoride glass fiber optics

    CERN Document Server

    Aggarwal, Ishwar D

    1991-01-01

    Fluoride Glass Fiber Optics reviews the fundamental aspects of fluoride glasses. This book is divided into nine chapters. Chapter 1 discusses the wide range of fluoride glasses with an emphasis on fluorozirconate-based compositions. The structure of simple fluoride systems, such as BaF2 binary glass is elaborated in Chapter 2. The third chapter covers the intrinsic transparency of fluoride glasses from the UV to the IR, with particular emphasis on the multiphonon edge and electronic edge. The next three chapters are devoted to ultra-low loss optical fibers, reviewing methods for purifying and

  15. Diethylenetriaminium hexafluoridotitanate(IV fluoride

    Directory of Open Access Journals (Sweden)

    J. Lhoste

    2008-11-01

    Full Text Available The title compound, (C6H21N4[TiF6]F, was synthesized by the reaction of TiO2, tris(2-aminoethylamine, HF and ethanol at 463 K in a microwave oven. The crystal structure consists of two crystallographically independent [TiF6]2− anions, two fluoride anions and two triply-protonated tris(2-aminoethylamine cations. The Ti atoms are coordinated by six F atoms within slightly distorted octahedra. The anions and cations are connected by intermolecular N—H...F hydrogen bonds.

  16. Kinetics and equilibrium studies for removal of fluoride from underground water using cryptocrystalline magnesite

    CSIR Research Space (South Africa)

    Masindi, Vhahangwele

    2015-09-01

    Full Text Available of competing ions. Optimum defluoridation conditions were observed to be 20 g/L magnesite, 2:100 solid:liquid ratio, 20 min of agitation and 60 mg/L fluoride concentration. Adsorption of fluoride by magnesite was observed to be independent of p...

  17. Enhancement of Saharan groundwater quality by reducing its fluoride concentration using different materials

    KAUST Repository

    Ramdani, Amina

    2014-04-15

    According to the environmental protection regulations, fluoride concentration is considered as a substance of priority for assessment of drinking water quality to determine their impacts on the environment and public health. Saharan groundwater (Algeria) contains an excess of fluoride ions. Regular consumption of this water by the population of the region may cause endemic fluorosis. To solve this problem, we propose to treat this water by adsorption on different materials, such as activated alumina (AA), sodium clay (SC), and hydroxyapatite (HAP) in order to enhance its quality by reducing its fluoride concentration. The maximum adsorption is achieved with an adsorption capacity of the order of 0.9, 0.667, and 0.370 mg/g and with a percentage of 90, 83.4, and 73.95% for AA, HAP, and SC, respectively. Indeed, the acidity and alkalinity of the medium significantly affect the adsorption of fluoride ions. Results deduced from the curves of adsorption isotherms of fluoride ions showed that the retention is predictable from these isotherms in agreement with the Langmuir model. The low removal of fluoride ions was observed in presence of (Formula presented.), (Formula presented.), and (Formula presented.) ions. Finally, AA material proved to be the best adsorbent for fluoride ions removal. © 2014 © 2014 Balaban Desalination Publications. All rights reserved.

  18. Removal of Fluoride from Drinking Water Using Modified Immobilized Activated Alumina

    Directory of Open Access Journals (Sweden)

    Aneeza Rafique

    2013-01-01

    Full Text Available The study describes the removal of fluoride from drinking water using modified immobilized activated alumina (MIAA prepared by sol-gel method. The modification was done by adding a specific amount of alum during the sol formation step. The fluoride removal efficiency of MIAA was 1.35 times higher as compared to normal immobilized activated alumina. A batch adsorption study was performed as a function of adsorbent dose, contact time, stirring rate, and initial fluoride concentration. More than 90% removal of fluoride was achieved within 60 minutes of contact time. The adsorption potential of MIAA was compared with activated charcoal which showed that the removal efficiency was about 10% more than the activated charcoal. Both the Langmuir and Freundlich adsorption isotherms fitted well for the fluoride adsorption on MIAA with the regression coefficient R2 of 0.99 and 0.98, respectively. MIAA can both be regenerated thermally and chemically. Adsorption experiments using MIAA were employed on real drinking water samples from a fluoride affected area. The study showed that modified immobilized activated alumina is an effective adsorbent for fluoride removal.

  19. A comparative study of the adsorption and hydrogenation of acrolein on Pt(1 1 1), Ni(1 1 1) film and Pt Ni Pt(1 1 1) bimetallic surfaces

    Science.gov (United States)

    Murillo, Luis E.; Chen, Jingguang G.

    In this study we have investigated the reaction pathways for the decomposition and hydrogenation of acrolein (CH 2dbnd CH-CH dbnd O) on Ni/Pt(1 1 1) surfaces under ultra-high vacuum (UHV) conditions using temperature programmed desorption (TPD) and high-resolution electron energy loss spectroscopy (HREELS). While gas-phase hydrogenation products are not observed from clean Pt(1 1 1), the subsurface Pt-Ni-Pt(1 1 1), with Ni residing below the first layer of Pt, is active for the self-hydrogenation of the C dbnd O bond to produce unsaturated alcohol (2-propenol) and the C dbnd C bond to produce saturated aldehyde (propanal), with the latter being the main hydrogenation product without the consecutive hydrogenation to saturated alcohol. For a thick Ni(1 1 1) film prepared on Pt(1 1 1), the self-hydrogenation yields for both products are lower than that from the Pt-Ni-Pt(1 1 1) surface. The presence of pre-adsorbed hydrogen further enhances the selectivity toward C dbnd O bond hydrogenation on the Pt-Ni-Pt(1 1 1) surface. In addition, HREELS studies of the adsorption of the two hydrogenation products, 2-propenol and propanal, are performed on the Pt-Ni-Pt(1 1 1) surface to identify the possible surface intermediates during the reaction of acrolein. The results presented here indicate that the hydrogenation activity and selectivity of acrolein on Pt(1 1 1) can be significantly modified by the formation of the bimetallic surfaces.

  20. Fluoride and Oral Health.

    Science.gov (United States)

    O'Mullane, D M; Baez, R J; Jones, S; Lennon, M A; Petersen, P E; Rugg-Gunn, A J; Whelton, H; Whitford, G M

    2016-06-01

    The discovery during the first half of the 20th century of the link between natural fluoride, adjusted fluoride levels in drinking water and reduced dental caries prevalence proved to be a stimulus for worldwide on-going research into the role of fluoride in improving oral health. Epidemiological studies of fluoridation programmes have confirmed their safety and their effectiveness in controlling dental caries. Major advances in our knowledge of how fluoride impacts the caries process have led to the development, assessment of effectiveness and promotion of other fluoride vehicles including salt, milk, tablets, toothpaste, gels and varnishes. In 1993, the World Health Organization convened an Expert Committee to provide authoritative information on the role of fluorides in the promotion of oral health throughout the world (WHO TRS 846, 1994). This present publication is a revision of the original 1994 document, again using the expertise of researchers from the extensive fields of knowledge required to successfully implement complex interventions such as the use of fluorides to improve dental and oral health. Financial support for research into the development of these new fluoride strategies has come from many sources including government health departments as well as international and national grant agencies. In addition, the unique role which industry has played in the development, formulation, assessment of effectiveness and promotion of the various fluoride vehicles and strategies is noteworthy. This updated version of 'Fluoride and Oral Health' has adopted an evidence-based approach to its commentary on the different fluoride vehicles and strategies and also to its recommendations. In this regard, full account is taken of the many recent systematic reviews published in peer reviewed literature.

  1. Private Well Water and Fluoride

    Science.gov (United States)

    ... Private Wells Infant Formula Fluorosis Public Health Service Recommendation Water Operators & Engineers Water Fluoridation Additives Shortages of Fluoridation Additives Drinking Water Pipe Systems CDC-Sponsored Water Fluoridation Training Links to Other ...

  2. Theoretical study of hydrogen adsorption of graphene and carbon nanotubes decorated with palladium; Estudio teorico de la adsorcion de hidrogeno sobre grafeno y nanotubos de carbono decorados con paladio

    Energy Technology Data Exchange (ETDEWEB)

    Lopez Corral, Ignacio; German, Estefania [Departamento de Fisica, Universidad Nacional del Sur (UNS), Bahia Blanca (Argentina); Volpe, Maria A [Planta Piloto de Ingenieria Quimica (UNS/CONICET), Bahia Blanca (Argentina); Brizuela, Graciela; Juan, Alfredo [Departamento de Fisica, Universidad Nacional del Sur (UNS), Bahia Blanca (Argentina)

    2008-10-15

    Since their discovery in 1991, carbon nanotubes (CNT) have awakened great interest in materials science thanks to their extraordinary structural, electronic and mechanical properties which facilitate their application in many different areas. One of the most promising applications is the possibility of using CNT to store hydrogen for use in small scale fuel cells. Unfortunately, experimental studies performed some years ago have often led to controversial conclusions, causing a continuing debate that has still not been resolved. The most recent work suggests that the storage of hydrogen for practical purposes can be achieved with CNT decorated with transition metals, for example Pd. In this context, theoretical modeling methods have to be used for a detailed understanding of the influence and scope of this type of modification in the interaction of the nanotubes with atomic or molecular hydrogen. This work studied hydrogen adsorption in single-walled carbon nanotubes (SWCNT) doped with Pd atoms, using density functional theory (DFT) and semi-empirical methods. As a preliminary approximation to the system a graphene sheet was used, modeled with a 190 atom cluster of C in a hexagonal arrangement, on which a single Pd atom was placed in adsorption sites. Then C{sub 190} clusters were used to simulate two different types of SWCNT: the zigzag SWCNT of quirality (10.0) and the armchair SWCNT of quirality (5.5), both decorated similarly on the graphene. Geometric optimization procedures for the system's different components were carried out with these models, and then the changes produced during the adsorption process in the electronic occupation of atomic orbitals and unions, for which crystal orbital overlap population (COOP) curves and overlap population (OP) values were evaluated. The results obtained with the graphene and nanotube approximations are in agreement and show that the SWCNT modified with Pd have more capacity to trap hydrogen than the non doped SWCNT. The

  3. Removal of fluoride from water using aluminium containing compounds

    Institute of Scientific and Technical Information of China (English)

    M. Karthikeyan; K. P. Elango

    2009-01-01

    Batch adsorption studies were undertaken to assess the suitability of aluminium titanate (AT) and bismuth aluminate (BA) to remove fluoride ions from water.The effect of pH,dose of adsorbent,contact time,initial concentration,co-ions and temperature on fluoride removal efficiency were studied.The amounts of fluoride ions adsorbed,at 30℃ from 4 mg/L of fluoride ion solution,by AT and BA are 0.85 and 1.55 mg/g,respectively.The experimental data fitted well to the Freundlich and Langmuir isotherms.Thermodynamic parameters such as △H~0,△S~0 and △G~0 indicated that the removal of fluoride ions by AT is exothermic and non-spontaneous while that by BA is endothermic and spontaneous.Furrier transform infrared (FT-IR) analysis and X-ray diffraction (XRD) patterns of the adsorbent before and after adsorption indicated that fluoride ions are chemisorbed by these adsorbents.

  4. modified bentonite clay for the removal of fluoride from aqueous ...

    African Journals Online (AJOL)

    NICOLAAS

    reagents and Total Ionic Solution Buffer (TISAB-III) were .... Equation 3 and it is used to describe liquid–solid phase adsorp- .... 0 and 1 indicating adsorption process was favourable at room temperature for all the adsorbate concentrations tested. 3.2.3. .... Marathe, Arsenic and fluoride contaminated groundwaters: a review.

  5. Removal of Fluoride Ion from Aqueous Solution by Nanocomposite Hydrogel Based on Starch/Sodium Acrylate/Nano Aluminum Oxide

    Directory of Open Access Journals (Sweden)

    Aboulfazl Barati

    2014-01-01

    Full Text Available Determination of fluoride in drinking water has received increasing interest, due to its beneficial and detrimental effects on health. Contamination of drinking water by fluoride can cause potential hazards to human health. In recent years, considerable attention has been given to different methods for the removal of fluoride from drinking and waste waters. The aim of this research was to investigate the effect of nano composite hydrogel based on starch/sodium acrylate/aluminum oxide in reduction of fluoride concentration in drinking water and industrial waste water. In a batch system, the dynamic and equilibrium adsorption of fluoride ions were studied with respect to changes in determining parameters such as pH, contact time, initial fluoride concentration, starch/acrylic acid weight ratio and weight percent of nano aluminum oxide. The obtained equilibrium adsorption data were fitted with Langmuir and Freundlich models, as well as the kinetic data with pseudo-first order and pseudo- second order models. The results showed that optimum pH was found to be in the range of 5 to 7. Removal efficiency of fluoride was increased with decreases in initial concentration of fluoride. Sixty percent of initial value of fluoride solution was removed by nano composite hydrogel (4 wt% of nano aluminum oxide at 240 min (initial fluoride concentration = 5 ppm, pH 6.8 and temperature = 25ºC. Under the same condition, the equilibrium adsorption of fluoride ions was 85% and 68% for initial solution concentration of 5 and 10 ppm, respectively. Adsorption isotherm data showed that the fluoride sorption followed the Langmuir model. Kinetics of sorption of fluoride onto nano composite hydrogel was described by pseudo-first order model.

  6. Fluoride Rinses, Gels and Foams

    DEFF Research Database (Denmark)

    Twetman, Svante; Keller, Mette K

    2016-01-01

    AIM: The aim of this conference paper was to systematically review the quality of evidence and summarize the findings of clinical trials published after 2002 using fluoride mouth rinses, fluoride gels or foams for the prevention of dental caries. METHODS: Relevant papers were selected after...... (6 on fluoride mouth rinse, 10 on fluoride gel and 3 on fluoride foam); 6 had a low risk of bias while 2 had a moderate risk. All fluoride measures appeared to be beneficial in preventing crown caries and reversing root caries, but the quality of evidence was graded as low for fluoride mouth rinse......, moderate for fluoride gel and very low for acidulated fluoride foam. No conclusions could be drawn on the cost-effectiveness. CONCLUSIONS: This review, covering the recent decade, has further substantiated the evidence for a caries-preventive effect of fluoride mouth rinse, fluoride gel and foam...

  7. Probability of foliar injury for Acer sp. based on foliar fluoride concentrations.

    Science.gov (United States)

    McDonough, Andrew M; Dixon, Murray J; Terry, Debbie T; Todd, Aaron K; Luciani, Michael A; Williamson, Michele L; Roszak, Danuta S; Farias, Kim A

    2016-12-01

    Fluoride is considered one of the most phytotoxic elements to plants, and indicative fluoride injury has been associated over a wide range of foliar fluoride concentrations. The aim of this study was to determine the probability of indicative foliar fluoride injury based on Acer sp. foliar fluoride concentrations using a logistic regression model. Foliage from Acer nedundo, Acer saccharinum, Acer saccharum and Acer platanoides was collected along a distance gradient from three separate brick manufacturing facilities in southern Ontario as part of a long-term monitoring programme between 1995 and 2014. Hydrogen fluoride is the major emission source associated with the manufacturing facilities resulting with highly elevated foliar fluoride close to the facilities and decreasing with distance. Consistent with other studies, indicative fluoride injury was observed over a wide range of foliar concentrations (9.9-480.0 μg F -  g -1 ). The logistic regression model was statistically significant for the Acer sp. group, A. negundo and A. saccharinum; consequently, A. negundo being the most sensitive species among the group. In addition, A. saccharum and A. platanoides were not statistically significant within the model. We are unaware of published foliar fluoride values for Acer sp. within Canada, and this research provides policy maker and scientist with probabilities of indicative foliar injury for common urban Acer sp. trees that can help guide decisions about emissions controls. Further research should focus on mechanisms driving indicative fluoride injury over wide ranging foliar fluoride concentrations and help determine foliar fluoride thresholds for damage.

  8. Biochemical studies on the effect of fluoride on higher plants. II. The effect of fluoride on sucrose-synthesizing enzymes from higher plants

    Energy Technology Data Exchange (ETDEWEB)

    Yang, S F; Miller, G W

    1963-01-01

    A study was initiated to characterize the properties of partially purified phosphoglucomutase, uridine diphosphate glucose pyrophosphorylase and uridine diphosphate glucose-fructose transglucosyalse, from various plant sources, with respect to activation by metal ions and inhibition by fluoride. Of the three enzymes studied, only phosphoglucomutase was very sensitive to fluoride. It is likely that the inhibition of sucrose synthesis in fluoride-fumigated plants might be due to the inhibition of phosphoglucomutase, which plays an important role in carbohydrate metabolism. However, at present, there is insufficient evidence to show the inhibition of phosphoglucomutase in vivo by fumigation with hydrogen fluoride.

  9. Effects of Crystallinity, Composition, and Texture on Hydrogen Solubility and Adsorption in Lunar Surface Materials and their Relevance to Remote Sensing

    Science.gov (United States)

    Dyar, M. D.; Hibbitts, C.; Orlando, T. M.; Poston, M.; Grieves, G. A.

    2011-12-01

    Abundant spacecraft data now demonstrate the presence of features associated with H on the lunar surface. The origin of that lunar H, whether as OH or H2O, is some combination of endogenic (juvenile) sources in the interiors of planetary materials and those resulting from exogenic deposition such as from the solar wind or comets. The ability of mineral (rock) and glass surfaces to internally host and surficially adsorb H is a function of several interrelated variables -- composition, crystallinity, and texture -- all of which will have an effect on observed band depth in remote sensing measurements. Studies of terrestrial materials show that the ability of nominally-anhydrous minerals to host H is related to composition in ways that reflect partition coefficients for H between melt and mineral, variations in bond strengths, and defect densities. This is important because the ability of a mineral to adsorb water on its exterior surface (chemisorption) should be related to some of the same factors that govern 'solubility' of H in the interiors of different mineral groups and compositions. IR signatures of internal OH/H2O can easily be confused with those of adsorbed OH/H2O. No correlation between H solubility and surface adsorptivity is observed in pristine glasses, which generally have passivated bonds on the surface and are hydrophobic. However, on the Moon, glass 'matures' rapidly via micrometeorite bombardment, potentially exposing dangling bonds on the surface that provide sites for H to adsorb. Unlike glasses, crystalline materials provide both defect lattice sites and dangling bonds on freshly-fractured surfaces that may enhance H adsorption. For example, bonding on mineral surfaces ranges from hydrogen bonding at non-lattice oxygen atoms (electronegative sites) to chemisorption at electropositive surface sites, such as structural defects or unsatisfied cations. Moreover, glasses and different mineral species also have different optical absorption coefficients

  10. Fluoride varnishes and enamel caries

    NARCIS (Netherlands)

    Bruyn, Hugo de

    1987-01-01

    Topical fluoride applications have the aim of increasing the fluoride uptake in enamel and consequently reducing caries. In the early ‘60s fluoride varnishes were introduced because they had a long contact period with the enamel which resulted in a higher fluoride uptake than from other topical

  11. The cariostatic mechanisms of fluoride

    OpenAIRE

    Kata Rošin-Grget; Kristina Peroš; Ivana Šutej; Krešimir Bašić

    2013-01-01

    This article discusses the possible cariostatic mechanisms of the action of fluoride. In the past, fluoride inhibition of caries was ascribed to reduced solubility of enamel due to incorporation of fluoride (F–) into the enamel minerals. The present evidence from clinical and laboratory studies suggests that the caries-preventive mode of action of fluoride is mainly topical. There is convincing evidence that fluoride has a major effect on demineralisation and remineralisation of dental hard t...

  12. Magnetic interactions through fluoride

    DEFF Research Database (Denmark)

    Pedersen, Kasper Steen; Sigrist, Marc; Weihe, Høgni

    2014-01-01

    support the parameter values and resolve |E| ≈ 0.04 cm(-1). The exchange coupling constant (J) is 1 order of magnitude smaller than that found in comparable systems with linear oxide bridging but comparable to typical magnitudes through cyanide, thus underlining the potential of fluoride complexes......The nature of the magnetic interaction through fluoride in a simple, dinuclear manganese(III) complex (1), bridged by a single fluoride ion in a perfectly linear fashion, is established by experiment and density functional theory. The magnitude of the antiferromagnetic exchange interaction...

  13. Preparation of bromine fluoride

    International Nuclear Information System (INIS)

    Domange, Pr; Duflo, J.

    1958-05-01

    This note addresses the preparation of bromine fluoride. It indicates the implemented process for the reaction, used products (fluorine and bromine), and column characteristics. It describes the operating mode. Apparatus drawing is provided

  14. Toxic fluoride gas emissions from lithium-ion battery fires.

    Science.gov (United States)

    Larsson, Fredrik; Andersson, Petra; Blomqvist, Per; Mellander, Bengt-Erik

    2017-08-30

    Lithium-ion battery fires generate intense heat and considerable amounts of gas and smoke. Although the emission of toxic gases can be a larger threat than the heat, the knowledge of such emissions is limited. This paper presents quantitative measurements of heat release and fluoride gas emissions during battery fires for seven different types of commercial lithium-ion batteries. The results have been validated using two independent measurement techniques and show that large amounts of hydrogen fluoride (HF) may be generated, ranging between 20 and 200 mg/Wh of nominal battery energy capacity. In addition, 15-22 mg/Wh of another potentially toxic gas, phosphoryl fluoride (POF 3 ), was measured in some of the fire tests. Gas emissions when using water mist as extinguishing agent were also investigated. Fluoride gas emission can pose a serious toxic threat and the results are crucial findings for risk assessment and management, especially for large Li-ion battery packs.

  15. Fluoride sorption using Cynodon dactylon based activated carbon

    Directory of Open Access Journals (Sweden)

    Alagumuthu G.

    2011-01-01

    Full Text Available This study deals the application of Cynodon dactylon based thermally activated carbon for fluoride toxicity. The batch adsorption techniques was followed at neutral pH as the functions of contact time, adsorbent dose, adsorbate concentration, temperature and the effect of co-anions. The data indicate that the prepared adsorbent surface sites are heterogeneous in nature and that fits into a heterogeneous site-binding model. The present system followed the Redlich-Peterson isotherm as well as Langmuir adsorption isotherm model. Lagergren pseudo-first-order, pseudo-second-order, intra particle diffusion and Elovich kinetics were modeled to describe the adsorption rate of fluoride and determined as this scheme followed pseudo-second-order kinetics. The calculated enthalpy change, ΔH°, and entropy change, ΔS°, for the adsorption process are +8.725 kJ/mol and +0.033 J/mol K respectively and shows endothermic experience. Instrumental analysis of XRD, FTIR and SEM gives the idea about the fluoride binding ability of adsorbent.

  16. Water Fluoridation Statistics - Percent of PWS population receiving fluoridated water

    Data.gov (United States)

    U.S. Department of Health & Human Services — 2000-2014. Water Fluoridation Statistics is a biennial report of the percentage and number of people receiving fluoridated water from 2000 through 2014, originally...

  17. Water Fluoridation Statistics - Percent of PWS population receiving fluoridated water

    Data.gov (United States)

    U.S. Department of Health & Human Services — 2000-2014 Water Fluoridation Statistics is a biennial report of the percentage and number of people receiving fluoridated water from 2000 through 2014, originally...

  18. The cariostatic mechanisms of fluoride

    Directory of Open Access Journals (Sweden)

    Kata Rošin-Grget

    2013-11-01

    Full Text Available This article discusses the possible cariostatic mechanisms of the action of fluoride. In the past, fluoride inhibition of caries was ascribed to reduced solubility of enamel due to incorporation of fluoride (F– into the enamel minerals. The present evidence from clinical and laboratory studies suggests that the caries-preventive mode of action of fluoride is mainly topical. There is convincing evidence that fluoride has a major effect on demineralisation and remineralisation of dental hard tissue. The source of this fluoride could either be fluorapatite (formed due to the incorporation of fluoride into enamel or calcium fluoride (CaF2-like precipitates, which are formed on the enamel and in the plaque after application of topical fluoride. Calcium fluoride deposits are protected from rapid dissolution by a phosphate –protein coating of salivary origin. At lower pH, the coating is lost and an increased dissolution rate of calcium fluoride occurs. The CaF2, therefore, act as an efficient source of free fluoride ions during the cariogenic challenge. The current evidence indicates that fluoride has a direct and indirect effect on bacterial cells, although the in vivo implications of this are still not clear. Conclusion. A better understanding of the mechanisms of the action of fluoride is very important for caries prevention and control. The effectiveness of fluoride as a cariostatic agent depends on the availability of free fluoride in plaque during cariogenic challenge, i.e. during acid production. Thus, a constant supply of low levels of fluoride in biofilm/saliva/dental interference is considered the most beneficial in preventing dental caries.

  19. The cariostatic mechanisms of fluoride.

    Science.gov (United States)

    Rošin-Grget, Kata; Peroš, Kristina; Sutej, Ivana; Bašić, Krešimir

    2013-11-01

    This article discusses the possible cariostatic mechanisms of the action of fluoride. In the past, fluoride inhibition of caries was ascribed to reduced solubility of enamel due to incorporation of fluoride (F-) into the enamel minerals. The present evidence from clinical and laboratory studies suggests that the caries-preventive mode of action of fluoride is mainly topical. There is convincing evidence that fluoride has a major effect on demineralisation and remineralisation of dental hard tissue. The source of this fluoride could either be fluorapatite (formed due to the incorporation of fluoride into enamel) or calcium fluoride (CaF2)-like precipitates, which are formed on the enamel and in the plaque after application of topical fluoride. Calcium fluoride deposits are protected from rapid dissolution by a phosphate -protein coating of salivary origin. At lower pH, the coating is lost and an increased dissolution rate of calcium fluoride occurs. The CaF2, therefore, act as an efficient source of free fluoride ions during the cariogenic challenge. The current evidence indicates that fluoride has a direct and indirect effect on bacterial cells, although the in vivo implications of this are still not clear. A better understanding of the mechanisms of the action of fluoride is very important for caries prevention and control. The effectiveness of fluoride as a cariostatic agent depends on the availability of free fluoride in plaque during cariogenic challenge, i.e. during acid production. Thus, a constant supply of low levels of fluoride in biofilm/saliva/dental interference is considered the most beneficial in preventing dental caries. Copyright © 2013 by Academy of Sciences and Arts of Bosnia and Herzegovina.

  20. Evaluating the Performance of Iron Nano-particle Resin in Removing Fluoride from Water

    Directory of Open Access Journals (Sweden)

    Amir Hossein Mahvi

    2011-01-01

    Full Text Available Excessive amounts of fluoride in drinking water pose serious health problems. It is, therefore, essential to remove it from drinking water by appropriate water treatment processes down to standard levels for preventing the health risks associated. The aim of this study was to determine the performance of a kind of hybrid sorbent resin in removing fluoride from water. Batch experiments were performed to investigate adsorption isotherms and the effects of experimental parameters such as contact time (5-120 min and pH (3-9. Results revealed that fluoride adsorption rate was initially rapid but continued at a slower rate before it reached equilibrium in 120 min. Optimum fluoride removal was observed at a pH range of 3-5.5. The data obtained from the experiments were fitted with Langmiur model.

  1. Fluoride and Water (For Parents)

    Science.gov (United States)

    ... risk of tooth decay" on the label. The Controversy Over Fluoride Opponents of water fluoridation have questioned ... Us Contact Us Partners Editorial Policy Permissions Guidelines Privacy Policy & Terms of Use Notice of Nondiscrimination Visit ...

  2. Removal of fluoride from drinking water using modified ultrafine tea powder processed using a ball-mill

    Energy Technology Data Exchange (ETDEWEB)

    Cai, Huimei; Xu, Lingyun; Chen, Guijie; Peng, Chuanyi [School of Tea & Food Science and Technology, Anhui Agricultural University/State Key Laboratory of Tea Plant Biology and Utilization, Anhui Agricultural University, Hefei 230036, Anhui (China); Ke, Fei [School of Tea & Food Science and Technology, Anhui Agricultural University/State Key Laboratory of Tea Plant Biology and Utilization, Anhui Agricultural University, Hefei 230036, Anhui (China); School of Science, Anhui Agricultural University, Hefei 230036 (China); Liu, Zhengquan; Li, Daxiang; Zhang, Zhengzhu [School of Tea & Food Science and Technology, Anhui Agricultural University/State Key Laboratory of Tea Plant Biology and Utilization, Anhui Agricultural University, Hefei 230036, Anhui (China); Wan, Xiaochun, E-mail: xcwan@ahau.edu.cn [School of Tea & Food Science and Technology, Anhui Agricultural University/State Key Laboratory of Tea Plant Biology and Utilization, Anhui Agricultural University, Hefei 230036, Anhui (China)

    2016-07-01

    Highlights: • Ultrafine tea powder (UTP) was prepared by ball-milling. • A novel and high efficient biosorbent from ultrafine tea powder (UTP) for the removal of fluoride from drinking water was prepared. • Loaded ultrafine tea powder adsorbed more fluoride adsorption than loaded tea waste. • UTP-Zr performed well over a considerably wide pH range, from 3.0 to 10.0. • UTP-Zr retains Zr metal ion during defluoridation, limiting secondary pollution. - Abstract: A low-cost and highly efficient biosorbent was prepared by loading zirconium(IV) onto ball-milled, ultrafine tea powder (UTP-Zr) for removal of fluoride from drinking water. To evaluate the fluoride adsorption capacity of UTP-Zr over a wide range of conditions, the biosorbent dosage, contact time, initial pH, initial fluoride concentration and presence of other ions were varied. UTP-Zr performed well over the considerably wide pH range of 3–10. The residual concentration of Zr in the treated water was below the limit of detection (0.01 mg/L). Fluoride adsorption by the UTP-Zr biosorbent followed the Langmuir model, with a maximum adsorption capacity of 12.43 mgF/g at room temperature. The fluoride adsorption kinetics fit the pseudo-second-order kinetic model. The synthesized biosorbent was characterized by BET, SEM, EDS, XRD and XPS to reveal how UTP-Zr interacts with fluoride. Results from this study demonstrated that UTP-based biosorbents will be useful and safe for the removal of fluoride from drinking water.

  3. Removal of fluoride from drinking water using modified ultrafine tea powder processed using a ball-mill

    International Nuclear Information System (INIS)

    Cai, Huimei; Xu, Lingyun; Chen, Guijie; Peng, Chuanyi; Ke, Fei; Liu, Zhengquan; Li, Daxiang; Zhang, Zhengzhu; Wan, Xiaochun

    2016-01-01

    Highlights: • Ultrafine tea powder (UTP) was prepared by ball-milling. • A novel and high efficient biosorbent from ultrafine tea powder (UTP) for the removal of fluoride from drinking water was prepared. • Loaded ultrafine tea powder adsorbed more fluoride adsorption than loaded tea waste. • UTP-Zr performed well over a considerably wide pH range, from 3.0 to 10.0. • UTP-Zr retains Zr metal ion during defluoridation, limiting secondary pollution. - Abstract: A low-cost and highly efficient biosorbent was prepared by loading zirconium(IV) onto ball-milled, ultrafine tea powder (UTP-Zr) for removal of fluoride from drinking water. To evaluate the fluoride adsorption capacity of UTP-Zr over a wide range of conditions, the biosorbent dosage, contact time, initial pH, initial fluoride concentration and presence of other ions were varied. UTP-Zr performed well over the considerably wide pH range of 3–10. The residual concentration of Zr in the treated water was below the limit of detection (0.01 mg/L). Fluoride adsorption by the UTP-Zr biosorbent followed the Langmuir model, with a maximum adsorption capacity of 12.43 mgF/g at room temperature. The fluoride adsorption kinetics fit the pseudo-second-order kinetic model. The synthesized biosorbent was characterized by BET, SEM, EDS, XRD and XPS to reveal how UTP-Zr interacts with fluoride. Results from this study demonstrated that UTP-based biosorbents will be useful and safe for the removal of fluoride from drinking water.

  4. Fluoride resistance in Streptococcus mutans

    NARCIS (Netherlands)

    Liao, Ying

    2017-01-01

    Fluoride has been used as the most effective anti-caries agent for over five decades. It functions not only on the dental hard tissues, but also as an antimicrobial agent. It is known that oral bacteria are able to develop resistance to fluoride, which may affect the effectiveness of fluoride in

  5. Fluoride Sorption Efficiency of Vermiculite Functionalised with Cationic Surfactant: Isotherm and Kinetics

    Directory of Open Access Journals (Sweden)

    Tayo Oladipo Ologundudu

    2016-09-01

    Full Text Available Groundwater is a major source of water, especially in rural communities. The presence of excess fluoride in groundwater has been a health concern for many decades because it causes fluorosis. The persistence of this problem led to the development of several approaches for reducing fluoride in groundwater to ≤1.5 mg/L, which is the World Health Organization’s (WHO permissible limit. Despite recorded success in fluoride reduction, drawbacks such as cost and efficiency have remained apparent, thus necessitating further research on defluoridation. This paper aims at assessing the defluoridation capacity of a clay mineral, vermiculite, when modified with the cationic surfactant hexadecyltrimethylammonium bromide. The effects of experimental parameters such as pH, agitation time, mass of adsorbent, and temperature were examined to determine the most favourable adsorption conditions. Using batch technique, the results showed a fluoride sorption of 51% from an 8 mg/L fluoride solution. The adsorption conformed more to Freundlich than Langmuir isotherm with an adsorption capacity of 2.36 mg/g, while the kinetics conformed to a pseudo-second-order reaction. pH emerged as the most influential factor in optimisation. The findings of this study indicated that modified vermiculite could be efficient in reducing fluoride in groundwater to more tolerable limits, but requires adequate pH control.

  6. Urinary fluoride excretion after application of fluoride varnish and use of fluoride toothpaste in young children

    DEFF Research Database (Denmark)

    Lockner, Frida; Twetman, Svante; Stecksén-Blicks, Christina

    2017-01-01

    BACKGROUND: The efficacy and safety of combined use of topical fluoride products are essential issues that must be monitored. AIM: To assess urinary excretion of fluoride after application of two different dental varnishes containing 2.26% fluoride in 3- to 4-year-old children and to compare...... the levels with and without parallel use of fluoride toothpaste. DESIGN: Fifteen healthy children were enrolled to a randomized crossover trial that was performed in two parts: Part I with twice-daily tooth brushing with fluoride toothpaste and Part II with twice-daily brushing with a non-fluoride toothpaste....... After a 1-week run-in period, 0.1 mL of the two fluoride varnishes (Duraphat and Profluorid Varnish) was topically applied in a randomized order. Baseline and experimental urine was collected during 6-h periods. The fluoride content was determined with an ion-sensitive electrode. RESULTS...

  7. Fluoride release from fluoride varnishes under acidic conditions.

    Science.gov (United States)

    Lippert, F

    2014-01-01

    The aim was to investigate the in vitro fluoride release from fluoride varnishes under acidic conditions. Poly(methyl methacrylate) blocks (Perspex, n=3 per group) were painted with 80 ± 5 mg fluoride varnish (n=10) and placed into artificial saliva for 30 min. Then, blocks were placed into either 1% citric acid (pH 2.27) or 0.3% citric acid (pH 3.75) solutions (n=3 per solution and varnish) for 30 min with the solutions being replaced every 5 min. Saliva and acid solutions were analyzed for fluoride content. Data were analyzed using three-way ANOVA (varnish, solution, time). The three-way interaction was significant (p>0.0001). Fluoride release and release patterns varied considerably between varnishes. Fluoride release in saliva varied by a factor of more than 10 between varnishes. Some varnishes (CavityShield, Nupro, ProFluorid, Vanish) showed higher fluoride release in saliva than during the first 5 min of acid exposure, whereas other varnishes (Acclean, Enamel-Pro, MI Varnish, Vella) showed the opposite behavior. There was little difference between acidic solutions. Fluoride release from fluoride varnishes varies considerably and also depends on the dissolution medium. Bearing in mind the limitations of laboratory research, the consumption of acidic drinks after fluoride varnish application should be avoided to optimize the benefit/risk ratio.

  8. Removal of lead and fluoride from contaminated water using exhausted coffee grounds based bio-sorbent.

    Science.gov (United States)

    Naga Babu, A; Reddy, D Srinivasa; Kumar, G Suresh; Ravindhranath, K; Krishna Mohan, G V

    2018-07-15

    Water pollution by industrial and anthropogenic actives has become a serious threat to the environment. World Health Organization (WHO) has identified that lead and fluoride amid the environmental pollutants are most poisonous water contaminants with devastating impact on the human race. The present work proposes a study on economical bio-adsorbent based technique using exhausted coffee grounds in the removal of lead and fluoride contaminants from water. The exhausted coffee grounds gathered from industrial wastes have been acid-activated and examined for their adsorption capacity. The surface morphology and elemental characterization of pre-and-post adsorption operations by FESEM, EDX and FTIR spectral analysis confirmed the potential of the exhausted coffee ground as successful bio-sorbent. However, thermodynamic analysis confirmed the adsorption to be spontaneous physisorption with Langmuir mode of homogenous monolayer deposition. The kinetics of adsorption is well defined by pseudo second order model for both lead and fluoride. A significant quantity of lead and fluoride is removed from the synthetic contaminated water by the proposed bio-sorbent with the respective sorption capabilities of 61.6 mg/g and 9.05 mg/g. However, the developed bio-sorbent is also recyclable and is capable of removing the lead and fluoride from the domestic and industrial waste-water sources with an overall removal efficiency of about 90%. Copyright © 2018 Elsevier Ltd. All rights reserved.

  9. Study of the modes of adsorption and electronic structure of hydrogen peroxide and ethanol over TiO2 rutile (110) surface within the context of water splitting

    Science.gov (United States)

    Alghamdi, H.; Idriss, H.

    2018-03-01

    While photocatalytic water splitting over many materials is favourable thermodynamically the kinetic of the reaction is very slow. One of the proposed reasons linked to the slow oxidation reaction rate is H2O2 formation as a reaction intermediate. Using Density Functional Theory (DFT) H2O2 is investigated on TiO2 rutile (110) surface to determine its most stable adsorption modes: molecular, (H)O(H)O - (a), partially dissociated, (H)OO - (a), and fully dissociated (a) - OO - (a). We then compare H2O2 interaction to that of a fast hole scavenger molecule, ethanol. Geometry, electronic structure, charge density difference and work function determination of both adsorbates are presented and compared using DFT with different functionals (PBE, PBE-D, PBE-U, and HSE + D). H2O2 is found to be strongly adsorbed on TiO2 rutile (110) surface with adsorption energies reaching 0.95 eV, comparable to that of ethanol (0.89 eV); using GGA PBE. The negative changes in the work function upon adsorption were found to be highest for molecular adsorption ( - 1.23 eV) and lowest for the fully dissociated mode ( - 0.54 eV) of H2O2. This may indicate that electrons flow from the surface to the adsorbate in order to make O(s)-H partially offset the overall magnitude of the oxygen lone pair interaction (of H2O2) with Ti4+ cations. Examination of the electronic structure through density of states (DOS) at the PBE level of computation, indicates that the H2O2 highest occupied molecular orbital (HOMO) level is not overlapping with oxygen atoms of TiO2 surface at any of its adsorption modes and at any of the computation methods. Some overlap is seen using the HSE + D computational method. On the other hand the dissociated mode of ethanol (ethoxides) does overlap with all computational methods used. The high adsorption energy and the absence of overlapping of the HOMO level of H2O2 with TiO2 rutile (110) surface may explain why water splitting is slow.

  10. Focus on Fluoride and Fluorosis by Studying the Ground Water Quality in some Villages of Nalgonda, Nalgonda District, Andhra Pradesh

    OpenAIRE

    , Ishrath Aish; , B.L.P. Babu; , K. Sreenu

    2011-01-01

    The fluoride content of ground water was determined in eight villages of Shalsher vagu, Nalgonda district, Andhra Pradesh, where it is the only source for drinking water. Various water quality parameters such as Hydrogen potential, Electrical conductivity, Total dissolved solids, Total hardness, Total Alkalies and Fluoride were determined. The results indicated considerable variations among the analysed samples with respect to the above parameters the concentration of Fluoride in groundwater ...

  11. Synthesis and characterization of ruthenium fluorides and oxide fluorides with high oxidation states

    International Nuclear Information System (INIS)

    Meublat, L.

    1989-10-01

    The synthesis of ruthenium fluorides and oxide fluorides with high oxidation states was attempted from dioxide RuO 2 and tetroxide RuO 4 . Three fluorinating agents were used: fluorine, chlorine trifluoride and krypton difluoride. The reactions were achieved in anhydrous hydrogen fluoride at room temperature. Thus, the reaction of RuO 4 with CIF 3 enabled us to prepare chloryl hexafluororuthenate (V), CIO 2 + RuF 6 - , a new compound well identified by vibrational spectroscopy (infra-red and Raman), the structure of which was determined. The reaction of KrF 2 with RuO 4 gave the oxide tetrafluoride RuOF 4 , the previously published syntheses and properties of which were not in agreement with each other. This compound was definitely characterized here by chemical analysis, infra-red spectroscopy and X-ray powder diffraction. The product of thermal decomposition (70 0 C) of RuOF 4 is presumably RuF 4 since only oxygen is liberated during this decomposition. At last, the reaction of KrF 2 with RuO 2 probably leads to the formation of the new oxide fluoride RuO 2 F 4 . Indeed, no oxygen is given off during this reaction, the chemical analysis of the red-orange coloured solid residue is almost in agreement with the one proposed and its infra-red absorption spectrum indicates the presence of ruthenium-oxygen and ruthenium-terminal and bridging fluorine bonds [fr

  12. Synthesis and characterization of ruthenium fluorides and oxide fluorides with high oxidation states

    International Nuclear Information System (INIS)

    Meublat, L.

    1989-01-01

    The synthesis of ruthenium fluorides and oxide fluorides with high oxidation states was attempted from dioxide RuO 2 and tetroxide RuO 4 . Three fluorinating agents were used: fluorine, chlorine trifluoride and krypton difluoride. The reactions were achieved in anhydrous hydrogen fluoride at room temperature. Thus, the reaction of RuO 4 with CIF 3 enabled us to prepare chloryl hexafluororuthenate (V), ClO 2 + RuF 6 - , a new compound well idendified by vibrational spectroscopy (infra-red and Raman), the structure of which was determined. The reaction of KrF 2 with RuO 4 gave the oxide tetrafluoride RuOF 4 , the previously published syntheses and properties of which were not in agreement with each other. This compound was definitely characterized here by chemical analysis, infra-red spectroscopy and X-ray powder diffraction. The product of thermal decomposition (70 0 C) of RuOF 4 is presumably RuF 4 since only oxygen is liberated during this decomposition. At last, the reaction of KrF 2 with RuO 2 probably leads to the formation of the new oxide fluoride RuO 2 F 4 . Indeed, no oxygen is given off during this reaction, the chemical analysis of the red-orange coloured solid residue is almost in agreement with the one proposed and its infra-red absorption spectrum indicates the presence of ruthenium-oxygen and ruthenium-terminal and bridging fluorine bonds [fr

  13. Hexamethyldisilazane Removal with Mesoporous Materials Prepared from Calcium Fluoride Sludge.

    Science.gov (United States)

    Kao, Ching-Yang; Lin, Min-Fa; Nguyen, Nhat-Thien; Tsai, Hsiao-Hsin; Chang, Luh-Maan; Chen, Po-Han; Chang, Chang-Tang

    2018-05-01

    A large amount of calcium fluoride sludge is generated by the semiconductor industry every year. It also requires a high amount of fuel consumption using rotor concentrators and thermal oxidizers to treat VOCs. The mesoporous adsorbent prepared by calcium fluoride sludge was used for VOCs treatment. The semiconductor industry employs HMDS to promote the adhesion of photo-resistant material to oxide(s) due to the formation of silicon dioxide, which blocks porous adsorbents. The adsorption of HMDS (Hexamethyldisiloxane) was tested with mesoporous silica materials synthesized from calcium fluoride (CF-MCM). The resulting samples were characterized by XRD, XRF, FTIR, N2-adsorption-desorption techniques. The prepared samples possessed high specific surface area, large pore volume and large pore diameter. The crystal patterns of CF-MCM were similar with Mobil composite matter (MCM-41) from TEM image. The adsorption capacity of HMDS with CF-MCM was 40 and 80 mg g-1, respectively, under 100 and 500 ppm HMDS. The effects of operation parameters, such as contact time and mixture concentration, on the performance of CF-MCM were also discussed in this study.

  14. Small molecule fluoride toxicity agonists.

    Science.gov (United States)

    Nelson, James W; Plummer, Mark S; Blount, Kenneth F; Ames, Tyler D; Breaker, Ronald R

    2015-04-23

    Fluoride is a ubiquitous anion that inhibits a wide variety of metabolic processes. Here, we report the identification of a series of compounds that enhance fluoride toxicity in Escherichia coli and Streptococcus mutans. These molecules were isolated by using a high-throughput screen (HTS) for compounds that increase intracellular fluoride levels as determined via a fluoride riboswitch reporter fusion construct. A series of derivatives were synthesized to examine structure-activity relationships, leading to the identification of compounds with improved activity. Thus, we demonstrate that small molecule fluoride toxicity agonists can be identified by HTS from existing chemical libraries by exploiting a natural fluoride riboswitch. In addition, our findings suggest that some molecules might be further optimized to function as binary antibacterial agents when combined with fluoride. Copyright © 2015 Elsevier Ltd. All rights reserved.

  15. Fluoride retention by kaolin clay

    DEFF Research Database (Denmark)

    Kau, P. M. H.; Smith, D. W.; Binning, Philip John

    1997-01-01

    To evaluate the potential effectiveness of kaolin clay liners in storage of fluoride contaminated waste, an experimental study of the sorption and desorption behaviour of fluoride in kaolin clay was conducted. The degree of fluoride sorption by kaolin was found to depend on solution p......H and available fluoride concentration with equilibrium being achieved within 24 h. A site activation process involving the uptake of fluoride was also observed at the initial stages of sorption. This behaviour was attributed to a layer expansion process of the clay during sorption. The maximum fluoride sorption...... capacity was found to be 18.3 meq/100 g at pH 6 and 8.6 meq/100 g at pH 7. A competitive Langmuir sorption isotherm where sorption is dependant on both pH and fluoride concentration is employed to characterise the experimental sorption and desorption data. The sorption and desorption isotherms revealed...

  16. Modeling the adsorption of hydrogen, sodium, chloride and phthalate on goethite using a strict charge-neutral ion-exchange theory.

    Science.gov (United States)

    Schulthess, Cristian P; Ndu, Udonna

    2017-01-01

    Simultaneous adsorption modeling of four ions was predicted with a strict net charge-neutral ion-exchange theory and its corresponding equilibrium and mass balance equations. An important key to the success of this approach was the proper collection of all the data, particularly the proton adsorption data, and the inclusion of variable concentrations of conjugate ions from the experimental pH adjustments. Using IExFit software, the ion-exchange model used here predicted the competitive retention of several ions on goethite by assuming that the co-adsorption or desorption of all ions occurred in the correct stoichiometries needed to maintain electroneutrality. This approach also revealed that the retention strength of Cl- ions on goethite increases in the presence of phthalate ions. That is, an anion-anion enhancement effect was observed. The retention of Cl- ions was much weaker than phthalate ions, and this also resulted in a higher sensitivity of the Cl- ions toward minor variations in the surface reactivity. The proposed model uses four goethite surface sites. The drop in retention of phthalate ions at low pH was fully described here as resulting from competitive Cl- reactions, which were introduced in increasing concentrations into the matrix as the conjugate base to the acid added to lower the pH.

  17. Fluoride and Oral Health

    DEFF Research Database (Denmark)

    O'Mullane, D M; Baez, R J; Jones, S

    2016-01-01

    and strategies is noteworthy. This updated version of ‘Fluoride and Oral Health’ has adopted an evidence-based approach to its commentary on the different fl uoride vehicles and strategies and also to its recommendations. In this regard, full account is taken of the many recent systematic reviews published...

  18. New efficient hydrogen process production from organosilane hydrogen carriers derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Brunel, Jean Michel [Unite URMITE, UMR 6236 CNRS, Faculte de Medecine et de Pharmacie, Universite de la Mediterranee, 27 boulevard Jean Moulin, 13385 Marseille 05 (France)

    2010-04-15

    While the source of hydrogen constitutes a significant scientific challenge, addressing issues of hydrogen storage, transport, and delivery is equally important. None of the current hydrogen storage options, liquefied or high pressure H{sub 2} gas, metal hydrides, etc.. satisfy criteria of size, costs, kinetics, and safety for use in transportation. In this context, we have discovered a methodology for the production of hydrogen on demand, in high yield, under kinetic control, from organosilane hydrogen carriers derivatives and methanol as co-reagent under mild conditions catalyzed by a cheap ammonium fluoride salt. Finally, the silicon by-products can be efficiently recycle leading to an environmentally friendly source of energy. (author)

  19. Square-wave adsorptive stripping voltammetric determination of nanomolar levels of bezafibrate using a glassy carbon electrode modified with multi-walled carbon nanotubes within a dihexadecyl hydrogen phosphate film.

    Science.gov (United States)

    Ardila, Jorge Armando; Oliveira, Geiser Gabriel; Medeiros, Roberta Antigo; Fatibello-Filho, Orlando

    2014-04-07

    A highly sensitive method for bezafibrate determination using a glassy carbon electrode (GCE) modified with multi-walled carbon nanotubes within a dihexadecyl hydrogen phosphate film based on square-wave adsorptive stripping voltammetry (SWAdSV) is proposed. The electrochemical behaviour of bezafibrate has been studied by cyclic voltammetry, showing an irreversible anodic peak at a potential of 1.09 V in 0.1 mol L(-1) phosphate buffer solution (pH 2.0). A study of the scan rate showed that the oxidation of bezafibrate is an adsorptive-controlled process, involving the transfer of two electrons and two protons per molecule. The analytical curve was linear over a bezafibrate concentration range from 50 to 910 nmol L(-1), with a detection limit of 16 nmol L(-1). This analytical method was successfully applied for benzafibrate determination in pharmaceutical formulations, with results showing good agreement with those obtained using a comparative spectrophotometric method, and has the potential for field application.

  20. Industrial fluoride pollution: chronic fluoride poisoning in Cornwall Island cattle

    Energy Technology Data Exchange (ETDEWEB)

    Krook, L.; Maylin, G.A.

    1979-04-01

    An aluminum plant on the south bank of the St. Lawrence River, southwest of Cornwall Island, Ontario, Canada, has emitted 0.816 metric tons of fluoride daily since 1973. Considerably higher amounts were emitted from 1959 to 1973. The plant was designated as the major source of fluoride emissions impacting on Cornwall Island. Cattle located on this island showed signs of chronic fluoride poisoning. This poisoning was manifested clinically by stunted growth and dental fluorosis to a degree of severe interference with drinking and mastication. This Cornwall Island herds study indicates that the established tolerance level of fluoride for performance of dairy and beef cattle is not valid since the tolerance level was set based on experiments with healthy calves which were exposed to dietary fluoride from 3 to 4 months of age and not on cattle which were chronically exposed to fluoride from conception to death. 56 references.

  1. Physiology and toxicity of fluoride

    Directory of Open Access Journals (Sweden)

    Dhar Vineet

    2009-01-01

    Full Text Available Fluoride has been described as an essential element needed for normal development and growth of animals and extremely useful for human beings. Fluoride is abundant in the environment and the main source of fluoride to humans is drinking water. It has been proved to be beneficial in recommended doses, and at the same time its toxicity at higher levels has also been well established. Fluoride gets accumulated in hard tissues of the body and has been know to play an important role in mineralization of bone and teeth. At high levels it has been known to cause dental and skeletal fluorosis. There are suggested effects of very high levels of fluoride on various body organs and genetic material. The purpose of this paper is to review the various aspects of fluoride and its importance in human life.

  2. Physiology and toxicity of fluoride.

    Science.gov (United States)

    Dhar, Vineet; Bhatnagar, Maheep

    2009-01-01

    Fluoride has been described as an essential element needed for normal development and growth of animals and extremely useful for human beings. Fluoride is abundant in the environment and the main source of fluoride to humans is drinking water. It has been proved to be beneficial in recommended doses, and at the same time its toxicity at higher levels has also been well established. Fluoride gets accumulated in hard tissues of the body and has been know to play an important role in mineralization of bone and teeth. At high levels it has been known to cause dental and skeletal fluorosis. There are suggested effects of very high levels of fluoride on various body organs and genetic material. The purpose of this paper is to review the various aspects of fluoride and its importance in human life.

  3. Influence of Surfactants and Fluoride against Enamel Erosion.

    Science.gov (United States)

    Zanatta, Rayssa Ferreira; Ávila, Daniele Mara da Silva; Miyamoto, Karen Mayumi; Torres, Carlos Rocha Gomes; Borges, Alessandra Bühler

    2018-06-06

    This study investigated the effect of surfactants associated with sodium fluoride (NaF) on enamel erosion prevention, using an erosion-remineralization in vitro model. Sodium lauryl sulfate (SLS), polysorbate 20 (P20), and cocoamidopropyl betaine (CAPB) were tested, at concentrations of 1.0 and 1.5%, and associated or not with NaF (275 ppm). The control groups were distilled water and the NaF solution. Bovine enamel samples (n = 12) were prepared and submitted to a 5-day cycling model: acid challenge (0.3% citric acid, pH 2.6, 4×/day), human saliva (2 h, 4×/day), and the treatment solutions (2 min, 2×/day). The protective potential of the agents against initial erosion was assessed by microhardness and the surface loss by profilometry. Enamel surface wettability was determined by goniometry, protein adsorption was measured by spectroscopy (FTIR), and the KOH-soluble fluoride was quantified. Goniometry showed that SLS and CAPB increased enamel wettability. No differences were found among the surfactants regarding protein adsorption. Microhardness showed that SLS reduced NaF protection. P20 (1 and 1.5%) and CAPB 1.5% presented a protective effect, but lower than the NaF solution. Profilometry showed that CAPB protected enamel, but no agent associated with NaF promoted a higher protection than the NaF solution alone. KOH-soluble fluoride analysis showed that all surfactants reduced the fluoride adsorption on the enamel surface. Therefore, the surfactants tested (except for P20) changed the enamel surface energy. The SLS decreased the protective potential of NaF on initial erosion, but no tested agent interfered with the protective effect of NaF on enamel erosive wear. © 2018 S. Karger AG, Basel.

  4. Magnesium fluoride recovery method

    International Nuclear Information System (INIS)

    Gay, R.L.; McKenzie, D.E.

    1989-01-01

    A method of obtaining magnesium fluoride substantially free from radioactive uranium from a slag formed in the production of metallic uranium by the reduction of depleted uranium tetrafluoride with metallic magnesium in a retort wherein the slag contains the free metals magnesium and uranium and also oxides and fluorides of the metals. The slag having a radioactivity level of at least about 7,000 rhoCi/gm. The method comprises the steps of: grinding the slag to a median particle size of about 200 microns; contacting the ground slag in a reaction zone with an acid having a strength of from about 0.5 to 1.5 N for a time of from about 4 to about 20 hours in the presence of a catalytic amount of iron; removing the liquid product; treating the particulate solid product; repeating the last two steps at least one more time to produce a solid residue consisting essentially of magnesium fluoride substantially free of uranium and having a residual radioactivity level of less than about 1000 rhoCi/gm

  5. Effect of Li Adsorption on the Electronic and Hydrogen Storage Properties of Acenes: A Dispersion-Corrected TAO-DFT Study

    OpenAIRE

    Seenithurai, Sonai; Chai, Jeng-Da

    2016-01-01

    Due to the presence of strong static correlation effects and noncovalent interactions, accurate prediction of the electronic and hydrogen storage properties of Li-adsorbed acenes with n linearly fused benzene rings (n = 3 - 8) has been very challenging for conventional electronic structure methods. To meet the challenge, we study these properties using our recently developed thermally-assisted-occupation density functional theory (TAO-DFT) with dispersion corrections. In contrast to pure acen...

  6. Capillary condensation and adsorption of binary mixtures.

    Science.gov (United States)

    Weinberger, B; Darkrim-Lamari, F; Levesque, D

    2006-06-21

    The adsorption of equimolar binary mixtures of hydrogen-carbon dioxide, hydrogen-methane, and methane-carbon dioxide in porous material models is determined by grand canonical Monte Carlo simulations. The material models have an adsorbent surface similar to that of nanofibers with a herringbone structure. Our main result, which is relevant for hydrogen purification and carbon dioxide capture, is that the adsorption selectivities calculated for the mixtures can differ significantly from those deduced from simulations of the adsorption of pure gases, in particular, when one of the adsorbed gases presents a capillary condensation induced by confinement within the pore network. A comparison of our data is also made with theoretical models used in the literature for predicting the properties of the mixture adsorption.

  7. Effect of Li Adsorption on the Electronic and Hydrogen Storage Properties of Acenes: A Dispersion-Corrected TAO-DFT Study

    Science.gov (United States)

    Seenithurai, Sonai; Chai, Jeng-Da

    2016-01-01

    Due to the presence of strong static correlation effects and noncovalent interactions, accurate prediction of the electronic and hydrogen storage properties of Li-adsorbed acenes with n linearly fused benzene rings (n = 3–8) has been very challenging for conventional electronic structure methods. To meet the challenge, we study these properties using our recently developed thermally-assisted-occupation density functional theory (TAO-DFT) with dispersion corrections. In contrast to pure acenes, the binding energies of H2 molecules on Li-adsorbed acenes are in the ideal binding energy range (about 20 to 40 kJ/mol per H2). Besides, the H2 gravimetric storage capacities of Li-adsorbed acenes are in the range of 9.9 to 10.7 wt%, satisfying the United States Department of Energy (USDOE) ultimate target of 7.5 wt%. On the basis of our results, Li-adsorbed acenes can be high-capacity hydrogen storage materials for reversible hydrogen uptake and release at ambient conditions. PMID:27609626

  8. Physiology and toxicity of fluoride

    OpenAIRE

    Dhar Vineet; Bhatnagar Maheep

    2009-01-01

    Fluoride has been described as an essential element needed for normal development and growth of animals and extremely useful for human beings. Fluoride is abundant in the environment and the main source of fluoride to humans is drinking water. It has been proved to be beneficial in recommended doses, and at the same time its toxicity at higher levels has also been well established. Fluoride gets accumulated in hard tissues of the body and has been know to play an important role in mineralizat...

  9. Adsorption of Water and Ethanol in MFI-Type Zeolites

    KAUST Repository

    Zhang, Ke; Lively, Ryan P.; Noel, James D.; Dose, Michelle E.; McCool, Benjamin A.; Chance, Ronald R.; Koros, William J.

    2012-01-01

    Water and ethanol vapor adsorption phenomena are investigated systematically on a series of MFI-type zeolites: silicalite-1 samples synthesized via both alkaline (OH -) and fluoride (F -) routes, and ZSM-5 samples with different Si/Al ratios as well

  10. Synthesis and properties of a high-capacity iron oxide adsorbent for fluoride removal from drinking water

    Science.gov (United States)

    Zhang, Chang; Li, Yingzhen; Wang, Ting-Jie; Jiang, Yanping; Fok, Jason

    2017-12-01

    A novel iron oxide adsorbent with a high fluoride adsorption capacity was prepared by a facile wet-chemical precipitation method and ethanol treatment. The ethanol-treated adsorbent was amorphous and had a high specific surface area. The adsorption capacity of the treated adsorbent was much higher than that of untreated adsorbent. The Langmuir maximum adsorption capacity of the adsorbent prepared at a low final precipitation pH (≤9.0) and treated with ethanol reached 60.8 mg/g. A fast adsorption rate was obtained, and 80% of the adsorption equilibrium capacity was achieved within 2 min. The adsorbent had high fluoride-removal efficiency for water in a wide initial pH range of 3.5-10.3 and had a high affinity for fluoride in the presence of common co-anions. The ethanol treatment resulted in structure transformation of the adsorbent by inhibiting the crystallization of the nano-precipitates. The adsorption was confirmed to be ion exchange between fluoride ions and the hydroxyl groups on the adsorbent surface.

  11. Dynamics of ligand exchange and association processes in solutions of transition 3d-metal fluorides

    International Nuclear Information System (INIS)

    Nazmutdinova, G.A.; Shtyrlin, V.G.; Zakharov, A.V.; Sal'nikov, Yu.I.

    1993-01-01

    By 19 NMR in combination with ESR spectroscopy rate constants and activation parameters of fluoride-ion exchange reactions in solutions of VOF 5 3- and FeF 6 3- complexes were determined. Associative character of the studied reactions of ligand exchange is shown. Dependence of fluoride complex reactivity on the charge, electron structure of the central ion and formation of hydrogen bonds of coordinated F - ions with solvent molecules was demonstrated. Stability constants, rates of formation and dissociation of intercomplex associates in fluoride solutions were ascertained

  12. Molecular mechanisms of fluoride toxicity.

    Science.gov (United States)

    Barbier, Olivier; Arreola-Mendoza, Laura; Del Razo, Luz María

    2010-11-05

    Halfway through the twentieth century, fluoride piqued the interest of toxicologists due to its deleterious effects at high concentrations in human populations suffering from fluorosis and in in vivo experimental models. Until the 1990s, the toxicity of fluoride was largely ignored due to its "good reputation" for preventing caries via topical application and in dental toothpastes. However, in the last decade, interest in its undesirable effects has resurfaced due to the awareness that this element interacts with cellular systems even at low doses. In recent years, several investigations demonstrated that fluoride can induce oxidative stress and modulate intracellular redox homeostasis, lipid peroxidation and protein carbonyl content, as well as alter gene expression and cause apoptosis. Genes modulated by fluoride include those related to the stress response, metabolic enzymes, the cell cycle, cell-cell communications and signal transduction. The primary purpose of this review is to examine recent findings from our group and others that focus on the molecular mechanisms of the action of inorganic fluoride in several cellular processes with respect to potential physiological and toxicological implications. This review presents an overview of the current research on the molecular aspects of fluoride exposure with emphasis on biological targets and their possible mechanisms of involvement in fluoride cytotoxicity. The goal of this review is to enhance understanding of the mechanisms by which fluoride affects cells, with an emphasis on tissue-specific events in humans. Copyright © 2010 Elsevier Ireland Ltd. All rights reserved.

  13. The adsorption of hydrogen on a molecular sieve at -196{sup o}C and the observation of an isotope effect; Adsorption d'hydrogene sur un tamis moleculaire a -196{sup o}C et observation d'un effet isotopique; Absorbtsiya vodoroda na molekulyarnom fil'tre pri -196{sup o} i nablyudenie rezul'tatov dejstviya izotopov; Adsorcion de hidrogeno en un tamiz molecular a -196{sup o}C y observacion de un efecto isotopico

    Energy Technology Data Exchange (ETDEWEB)

    Duncombe, W G [Wellcome Research Laboratories, Beckenham, Kent (United Kingdom)

    1962-03-15

    Linde Molecular Sieve 4A has been examined as a possible means of handling small volumes of hydrogen isotopes in a vacuum system, as an alternative to the slow Toepler pump method. The equilibrium pressure (P) was measured for various volumes (V) of hydrogen adsorbed by 1 g of Sieve at -196{sup o}C. Experiments with activated charcoal showed the superiority of the Sieve as a hydrogen adsorbent. 1 g of the Sieve in a system of vol. 500 ml will adsorb about 97% of a 1-ml sample of hydrogen. Adsorption is negligible at -78{sup o}C and desorption is quantitative and rapid at room temperature. The possibility of an isotope effect was investigated by adsorbing measured volumes of tritium (5 {mu}c/mole) at an equilibrium pressure of about 5 mm, pumping off the system for times up to 15 min and measuring the volume of residual hydrogen. The latter was converted quantitatively to water, thence to butane, and gas-counted. The specific activity was always higher than that of tritium which had undergone 10 cycles of adsorption and desorption without intermediate pumping off, so that there was no net loss of gas. This had the same specific activity as untreated tritium from the storage bulb. It was found that log (residual vol./ initial vol.) was proportional to 1/log (residual sp. act./ initial sp. act.) over the range investigated (0-90% of initial gas pumped off). When 90% had been removed the specific activity ratio was about 3. Isotopic fractionation during adsorption is possible, but in these experiments about 99% of the initial hydrogen was adsorbed on the Molecular Sieve before desorption by pumping off was begun. It seems likely, therefore, that the considerable fractionation observed occurs mainly during desorption. The effect is thus not likely to be important when the Sieve is used for manipulating small volumes of hydrogen isotopes, since complete desorption by warming will usually be employed. (author) [French] L'auteur a examine la possibilite d'utiliser le tamis

  14. Protein Adsorption in Three Dimensions

    Science.gov (United States)

    Vogler, Erwin A.

    2011-01-01

    initially-adsorbed protein. Interphase protein concentration CI increases as VI decreases, resulting in slow reduction in interfacial energetics. Steady-state is governed by a net partition coefficient P=(/CBCI). In the process of occupying space within the interphase, adsorbing protein molecules must displace an equivalent volume of interphase water. Interphase water is itself associated with surface-bound water through a network of transient hydrogen bonds. Displacement of interphase water thus requires an amount of energy that depends on the adsorbent surface chemistry/energy. This “adsorption-dehydration” step is the significant free-energy cost of adsorption that controls the maximum amount of protein that can be adsorbed at steady state to a unit adsorbent-surface area (the adsorbent capacity). As adsorbent hydrophilicity increases, protein adsorption monotonically decreases because the energetic cost of surface dehydration increases, ultimately leading to no protein adsorption near an adsorbent water wettability (surface energy) characterized by a water contact angle θ → 65°. Consequently, protein does not adsorb (accumulate at interphase concentrations greater than bulk solution) to more hydrophilic adsorbents exhibiting θ protein/surface interactions can be highly favorable, causing protein to adsorb in multilayers in a relatively thick interphase. A straightforward, three-component free energy relationship captures salient features of protein adsorption to all surfaces predicting that the overall free energy of protein adsorption ΔGadso is a relatively small multiple of thermal energy for any surface chemistry (except perhaps for bioengineered surfaces bearing specific ligands for adsorbing protein) because a surface chemistry that interacts chemically with proteins must also interact with water through hydrogen bonding. In this way, water moderates protein adsorption to any surface by competing with adsorbing protein molecules. This Leading Opinion ends

  15. Eggshell Powder as an Adsorbent for Removal of Fluoride from Aqueous Solution: Equilibrium, Kinetic and Thermodynamic Studies

    Directory of Open Access Journals (Sweden)

    R. Bhaumik

    2012-01-01

    Full Text Available A new medium, eggshell powder has been developed for fluoride removal from aqueous solution. Fluoride adsorption was studied in a batch system where adsorption was found to be pH dependent with maximum removal efficiency at 6.0. The experimental data was more satisfactorily fitted with Langmuir isotherm model. The kinetics and the factor controlling adsorption process fully accepted by pseudo-second-order model were also discussed. Ea was found to be 45.98 kJmol-1 by using Arrhenius equation, indicating chemisorption nature of fluoride onto eggshell powder. Thermodynamic study showed spontaneous nature and feasibility of the adsorption process with negative enthalpy (∆H0 value also supported the exothermic nature. Batch experiments were performed to study the applicability of the adsorbent by using fluoride contaminated water collected from affected areas. These results indicate that eggshell powder can be used as an effective, low-cost adsorbent to remove fluoride from aqueous solution as well as groundwater.

  16. Growth of fluoride treated Kalanchoe pinnata plants

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, H N; Applegate, H G

    1962-01-01

    Kalanchoe pinnata plants can absorb fluoride through roots. The absorption is related to the amount of fluoride applied to the soil. There appeared to be a relationship between the amount of fluoride adsorbed and the subsequent growth of the plants. Plants which adsorbed the largest amounts of fluoride had the greatest increase in growth.

  17. Development of technology and equipment for manufacturing fluorides rare-earths via non-aqueous method

    International Nuclear Information System (INIS)

    Chatalov, V.V.; Kozlov, O.I.; Machirev, V.P.; Zvonarev, E.N.

    1998-01-01

    Full text: The works on technology and equipment for rare earths (RE) fluorides are very scarce. Presently RE-fluorides are manufactured by various methods. Conventionally they can be divided into two main groups. The first group comprises methods based on precipitation of fluorides from soluble salts of corresponding metals by fluohydric acid (aqueous methods) with following thermal decomposition of aquatic fluorides obtained until anhydric state is reached. The second group (called dry, gaseous or non-aqueous) comprises methods based on direct fluorizating (by fluorine hydride, fluor or other fluorating agents) have several important advantages compared to the aqueous methods: the fluorides obtained are anhydrous; the operations of fluoride precipitation, washing, decantation, filtration are excluded as well as their drying and calcination. The process of calcination is, as a rule, accompanied by pyrohydrolysis. The products manufactured by precipitation are inferior to those obtained by the non-aqueous technique. The world production practice uses both groups of methods. Nevertheless, the method of gaseous hydrofluorination is preferable. In all non-aqueous processes the initial materials are oxides RE which interact with gaseous fluorine hydride. The initial materials - oxides are obtained by thermal decomposition of carbonates, hydroxides, oxalates and so on. One of the best type of apparatus for thermal decomposition processes is a horizontal ring shaped vibrating apparatus with direct heating. The RE - fluorides is synthesized by way of RE-oxide interacting with hydrogen fluoride at 200-550 deg C in single continuous operation: (RE) 2 O 3 + 6 HF → 2 (RE)F 3 + 3 H 2 0 The apparatus consists of a nickel horizontal two tube screw. Reaction time is varied from 2 to 6 hours; the productivity of reactor is defined by feed screw rotation and initial material bulk density. Hydrogen fluoride was passing the reactor opposite to the solid phase. The degree

  18. Adsorption of antibiotics on microplastics.

    Science.gov (United States)

    Li, Jia; Zhang, Kaina; Zhang, Hua

    2018-06-01

    Microplastics and antibiotics are two classes of emerging contaminants with proposed negative impacts to aqueous ecosystems. Adsorption of antibiotics on microplastics may result in their long-range transport and may cause compound combination effects. In this study, we investigated the adsorption of 5 antibiotics [sulfadiazine (SDZ), amoxicillin (AMX), tetracycline (TC), ciprofloxacin (CIP), and trimethoprim (TMP)] on 5 types of microplastics [polyethylene (PE), polystyrene (PS), polypropylene (PP), polyamide (PA), and polyvinyl chloride (PVC)] in the freshwater and seawater systems. Scanning Electron Microscope (SEM) and X-ray diffractometer (XRD) analysis revealed that microplastics have different surface characterizes and various degrees of crystalline. Adsorption isotherms demonstrated that PA had the strongest adsorption capacity for antibiotics with distribution coefficient (K d ) values ranged from 7.36 ± 0.257 to 756 ± 48.0 L kg -1 in the freshwater system, which can be attributed to its porous structure and hydrogen bonding. Relatively low adsorption capacity was observed on other four microplastics. The adsorption amounts of 5 antibiotics on PS, PE, PP, and PVC decreased in the order of CIP > AMX > TMP > SDZ > TC with K f correlated positively with octanol-water partition coefficients (Log K ow ). Comparing to freshwater system, adsorption capacity in seawater decreased significantly and no adsorption was observed for CIP and AMX. Our results indicated that commonly observed polyamide particles can serve as a carrier of antibiotics in the aquatic environment. Copyright © 2018 Elsevier Ltd. All rights reserved.

  19. FLUORIDE TOXICITY – A HARSH REALITY

    OpenAIRE

    Bandlapalli Pavani; Mandava Ragini; David Banji; Otilia J F Banji; N Gouri Pratusha

    2011-01-01

    There are many incidents of fluoride toxicity whether it is acute or chronic. Fluoride toxicity is an environmental hazard which arises from the upper layers of geological crust and is dissolved in water. Prolonged drinking of such water causes chronic fluoride toxicity. Use of fluoride containing compounds for various purposes such as dental products, metal, glass, refrigerator and chemical industries act as a source of fluoride poisoning and increase the risk of toxicity. This review reflec...

  20. Molten fluoride fuel salt chemistry

    International Nuclear Information System (INIS)

    Toth, L.M.; Del Cul, G.D.; Dai, S.; Metcalf, D.H.

    1995-01-01

    The chemistry of molten fluorides is traced from their development as fuels in the Molten Salt Reactor Experiment with important factors in their selection being discussed. Key chemical characteristics such as solubility, redox behavior, and chemical activity are explained as they relate to the behavior of molten fluoride fuel systems. Development requirements for fitting the current state of the chemistry to modern nuclear fuel system are described. It is concluded that while much is known about molten fluoride behavior which can be used effectively to reduce the amount of development required for future systems, some significant molten salt chemical questions must still be addressed. copyright American Institute of Physics 1995

  1. Strontium-90 fluoride data sheet

    Energy Technology Data Exchange (ETDEWEB)

    Fullam, H.T.

    1981-06-01

    This report is a compilation of available data and appropriate literature references on the properties of strontium-90 fluoride and nonradioactive strontium fluoride. The objective of the document is to compile in a single source pertinent data to assist potential users in the development, licensing, and use of /sup 90/SrF/sub 2/-fueled radioisotope heat sources for terrestrial power conversion and thermal applications. The report is an update of the Strontium-90 Fluoride Data Sheet (BNWL-2284) originally issued in April 1977.

  2. Beryllium production using beryllium fluoride

    International Nuclear Information System (INIS)

    Hubler, Carlos Henrique

    1993-01-01

    This work presents the beryllium production by thermal decomposition of the ammonium beryllium fluoride, followed by magnesium reduction, obtained in the small pilot plant of the Brazilian National Nuclear Energy Commission - Nuclear Engineering Institute

  3. Pillared-layer microporous metal-organic frameworks constructed by robust hydrogen bonds. Synthesis, characterization, and magnetic and adsorption properties of 2,2'-biimidazole and carboxylate complexes.

    Science.gov (United States)

    Ding, Bing-Bing; Weng, Yan-Qin; Mao, Zong-Wan; Lam, Chi-Keung; Chen, Xiao-Ming; Ye, Bao-Hui

    2005-11-28

    Two new isostructural complexes [M(H2biim)3][M(btc)(Hbiim)].2H2O (M = Co, (1); M = Ni, (2)) (btc = 1,3,5-benzenetricarboxylate; H2biim = 2,2'-biimidazole) have been synthesized and characterized by single-crystal X-ray diffraction. They present a unique structure consisting of two distinct units: the monomeric cations [M(H2biim)3]2+ and the two-dimensional (2D) anionic polymer [M(Hbiim)(btc)]2-. In the anionic moiety, the Hbiim- monoanion is simultaneously coordinated to one metal atom in a bidentate mode and further to another metal atom in a monodentate mode. The imidazolate groups bridge the two adjacent metal ions into a helical chain which is further arranged in left- and right-handed manners. These chains are bridged by btc ligands into a 2D brick wall structure. The most interesting aspect is that the [M(H2biim)3]2+ cations act as pillars and link the anionic layers via robust heteromeric hydrogen-bonded synthons (9) and (7) formed by the uncoordinated oxygen atoms of carboxylate groups and the H2biim ligands, resulting in a microporous metal-organic framework with one-dimensional (1D) channels (ca. 11.85 angstroms x 11.85 angstroms for 1 and 11.43 angstroms x 11.43 angstroms for 2). Magnetic properties of these two complexes have also been studied in the temperature range of 2-300 K, and their magnetic susceptibilities obey the Curie-Weiss law in the temperature range of 20-300 K (for 1) and 2-300 K (for 2), respectively, showing anti-ferromagnetic coupling through imidazolate bridging. Taking into consideration the Heisenberg infinite chain model as well as the possibility of chain-to-chain and chain-to-cation interactions, the anti-ferromagnetic exchange of 2 is analyzed via a correction for the molecular field, giving the values of g(cat) = 2.296, g(Ni) = 2.564, J = -13.30 cm(-1), and zJ' = -0.017 cm(-1). The microporous frameworks are stable at ca. 350 degrees C. They do not collapse after removal of the guest water molecules in the channels, and they

  4. Chronic Fluoride Toxicity: Dental Fluorosis

    OpenAIRE

    DenBesten, Pamela; Li, Wu

    2011-01-01

    Dental fluorosis occurs as a result of excess fluoride ingestion during tooth formation. Enamel fluorosis and primary dentin fluorosis can only occur when teeth are forming, and therefore fluoride exposure (as it relates to dental fluorosis) occurs during childhood. In the permanent dentition, this would begin with the lower incisors, which complete mineralization at approximately 2–3 years of age, and end after mineralization of the third molars. The white opaque appearance of fluorosed enam...

  5. Changes in physicochemical and biological properties of porcine bone derived hydroxyapatite induced by the incorporation of fluoride

    Science.gov (United States)

    Qiao, Wei; Liu, Quan; Li, Zhipeng; Zhang, Hanqing; Chen, Zhuofan

    2017-12-01

    As the main inorganic component of xenogenic bone graft material, bone-derived biological apatite (BAp) has been widely used in implant dentistry, oral and maxillofacial surgery and orthopedics. However, BAp produced via calcination of animal bones still suffers from some drawbacks, such as insufficient mechanical strength and inadequate degradation rate, which impede its application. Fluoride is known to play important roles in both physiological and pathological processes of human hard tissues for its double effects on bones and teeth. In order to understand the effects of fluoride on the properties of BAp, as well as the mechanism behind them, porcine bone derived hydroxyapatite (PHAp) was prepared via thermal treatment, which was then fluoride incorporated at a series concentrations of sodium fluoride, and noted as 0.25-FPHAp, 0.50-FPHAp, and 0.75-FPHAp respectively. The physicochemical characteristics of the materials, including crystal morphology, crystallinity, functional groups, elemental composition, compressive strength, porosity and solubility, were then determined. The biological properties, such as protein adsorption and cell attachment, were also evaluated. It was found that the spheroid-like crystals of PHAp were changed into rod-like after fluoride substitution, resulting in a fluoride concentration-dependent increase in compressive strength, as well as a decreased porosity and solubility of the apatite. However, even though the addition of fluoride was demonstrated to enhance protein adsorption and cell attachment of the materials, the most favorable results were intriguingly achieved in FPHAp with the least fluoride content. Collectively, low level of fluoride incorporation is proposed promising for the modification of clinically used BAp based bone substitute materials, because of its being able to maintain a good balance between physicochemical and biological properties of the apatite.

  6. Fluoride in groundwater: toxicological exposure and remedies.

    Science.gov (United States)

    Jha, S K; Singh, R K; Damodaran, T; Mishra, V K; Sharma, D K; Rai, Deepak

    2013-01-01

    Fluoride is a chemical element that is found most frequently in groundwater and has become one of the most important toxicological environmental hazards globally. The occurrence of fluoride in groundwater is due to weathering and leaching of fluoride-bearing minerals from rocks and sediments. Fluoride when ingested in small quantities (dental health by reducing dental caries, whereas higher concentrations (>1.5 mg/L) may cause fluorosis. It is estimated that about 200 million people, from among 25 nations the world over, may suffer from fluorosis and the causes have been ascribed to fluoride contamination in groundwater including India. High fluoride occurrence in groundwaters is expected from sodium bicarbonate-type water, which is calcium deficient. The alkalinity of water also helps in mobilizing fluoride from fluorite (CaF2). Fluoride exposure in humans is related to (1) fluoride concentration in drinking water, (2) duration of consumption, and (3) climate of the area. In hotter climates where water consumption is greater, exposure doses of fluoride need to be modified based on mean fluoride intake. Various cost-effective and simple procedures for water defluoridation techniques are already known, but the benefits of such techniques have not reached the rural affected population due to limitations. Therefore, there is a need to develop workable strategies to provide fluoride-safe drinking water to rural communities. The study investigated the geochemistry and occurrence of fluoride and its contamination in groundwater, human exposure, various adverse health effects, and possible remedial measures from fluoride toxicity effects.

  7. Mg-doped nano ferrihydrite - A new adsorbent for fluoride removal from aqueous solutions

    Energy Technology Data Exchange (ETDEWEB)

    Mohapatra, M., E-mail: mamatamohapatra@yahoo.com [Institute of Minerals and Materials Technology, Bhubaneswar 751 013, Orissa (India); Hariprasad, D.; Mohapatra, L.; Anand, S.; Mishra, B.K. [Institute of Minerals and Materials Technology, Bhubaneswar 751 013, Orissa (India)

    2012-03-01

    The present study evaluates synthesized Mg-doped nano ferrihydrite powder as an adsorbent for F{sup -} removal from aqueous solutions. High surface area Mg-doped ferrihydrite was prepared by co-precipitation method under controlled conditions. Samples were prepared by varying Mg content in the range of 0.39-1.12%. Preliminary test work revealed that under similar conditions, with the increase in Mg content from 0.39 to 0.98% in doped ferrihydrite, % F{sup -} adsorption increased from 66 to 91%. Hence this sample was characterized by XRD, TEM, SAED and TG-DTA. Batch adsorption experiments were carried out by varying contact time (30-480 min), initial pH (1.0-10), initial fluoride concentration (10-150 mg/L), adsorbent dose (0.5-4 g/L), temperature (20-45 Degree-Sign C) and Cl{sup -} or SO{sub 4}{sup 2-} concentrations (nil to 50 mg/L). The results showed 0.98% Mg-doped ferrihydrite to be an excellent fluoride adsorbent giving maximum adsorption capacity of 64 mg/g. The time data fitted well to pseudo second order kinetic model. The isothermal data followed Langmuir model. Thermodynamic parameters confirmed the adsorption process to be spontaneous and endothermic. 89% of fluoride could be desorbed from loaded sample using 1 M NaOH.

  8. Bimetallic Cobalt-Based Phosphide Zeolitic Imidazolate Framework: CoP x Phase-Dependent Electrical Conductivity and Hydrogen Atom Adsorption Energy for Efficient Overall Water Splitting

    Energy Technology Data Exchange (ETDEWEB)

    Song, Junhua [School of Mechanical and Materials Engineering, Washington State University, Pullman WA 99164 USA; Zhu, Chengzhou [School of Mechanical and Materials Engineering, Washington State University, Pullman WA 99164 USA; Xu, Bo Z. [School of Mechanical and Materials Engineering, Washington State University, Pullman WA 99164 USA; Fu, Shaofang [School of Mechanical and Materials Engineering, Washington State University, Pullman WA 99164 USA; Engelhard, Mark H. [Pacific Northwest National Laboratory, Richland WA 99352 USA; Ye, Ranfeng [School of Mechanical and Materials Engineering, Washington State University, Pullman WA 99164 USA; Du, Dan [School of Mechanical and Materials Engineering, Washington State University, Pullman WA 99164 USA; Beckman, Scott P. [School of Mechanical and Materials Engineering, Washington State University, Pullman WA 99164 USA; Lin, Yuehe [School of Mechanical and Materials Engineering, Washington State University, Pullman WA 99164 USA; Pacific Northwest National Laboratory, Richland WA 99352 USA

    2016-10-25

    Cobalt-based bimetallic phosphide encapsulated in carbonized zeolitic imadazolate frameworks has been successfully synthesized and showed excellent activities toward both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER). Density functional theory calculation and electrochemical measurements reveal that the electrical conductivity and electrochemical activity are closely associated with the Co2P/CoP mixed phase behaviors upon Cu metal doping. This relationship is found to be the decisive factor for enhanced electrocatalytic performance. Moreover, the precise control of Cu content in Co-host lattice effectively alters the Gibbs free energy for H* adsorption, which is favorable for facilitating reaction kinetics. Impressively, an optimized performance has been achieved with mild Cu doping in Cu0.3Co2.7P/nitrogen-doped carbon (NC) which exhibits an ultralow overpotential of 0.19 V at 10 mA cm–2 and satisfying stability for OER. Cu0.3Co2.7P/NC also shows excellent HER activity, affording a current density of 10 mA cm–2 at a low overpotential of 0.22 V. In addition, a homemade electrolyzer with Cu0.3Co2.7P/NC paired electrodes shows 60% larger current density than Pt/ RuO2 couple at 1.74 V, along with negligible catalytic deactivation after 50 h operation. The manipulation of electronic structure by controlled incorporation of second metal sheds light on understanding and synthesizing bimetallic transition metal phosphides for electrolysis-based energy conversion.

  9. Effects of amine fluoride on biofilm growth and salivary pellicles.

    Science.gov (United States)

    van der Mei, H C; Engels, E; de Vries, J; Busscher, H J

    2008-01-01

    The amine fluoride (AmF) N'-octadecyl-trimethylene-diamine-N,N,N'-tris(2-ethanol)-dihydro-fluoride is a cationic antimicrobial which can have beneficial effects on plaque formation. Here, we determine changes in pellicle and bacterial cell surface properties of the strains Actinomyces naeslundii HM1, Streptococcus mutans NS, S.mutans ATCC 700610, S. sobrinus HG1025 and S. oralis HM1 upon adsorption of this AmF and accompanying effects on bacterial adhesion and biofilm growth. In vitro pellicles had a zeta potential of -12 mV that became less negative upon adsorption of AmF. The chemical functionalities in which carbon and oxygen were involved changed after AmF adsorption and AmF-treated pellicles had a greater surface roughness than untreated pellicles. Water contact angles in vitro decreased from 56 to 45 degrees upon AmF treatment, which corresponded with water contact angles (44 degrees ) measured intraorally on the front incisors of volunteers immediately after using an AmF-containing toothpaste. All bacterial strains were negatively charged and their isoelectric points (IEP) increased upon AmF adsorption. Minimal inhibitory concentrations were smallest for strains exhibiting the largest increase in IEP. Adhesion to salivary pellicles and biofilm growth of the mutans streptococcal strains were significantly reduced after AmF treatment, but not of A. naeslundii or S. oralis. However, regardless of the strain involved, biofilm viability decreased significantly after AmF treatment. The electrostatic interaction between cationic AmF and negatively charged bacterial cell surfaces is pivotal in establishing reduced biofilm formation by AmF through a combination of effects on initial adhesion and killing. The major effect of AmF treatment, however, was a reduction brought about in biofilm viability.

  10. Chronic fluoride toxicity: dental fluorosis.

    Science.gov (United States)

    Denbesten, Pamela; Li, Wu

    2011-01-01

    Dental fluorosis occurs as a result of excess fluoride ingestion during tooth formation. Enamel fluorosis and primary dentin fluorosis can only occur when teeth are forming, and therefore fluoride exposure (as it relates to dental fluorosis) occurs during childhood. In the permanent dentition, this would begin with the lower incisors, which complete mineralization at approximately 2-3 years of age, and end after mineralization of the third molars. The white opaque appearance of fluorosed enamel is caused by a hypomineralized enamel subsurface. With more severe dental fluorosis, pitting and a loss of the enamel surface occurs, leading to secondary staining (appearing as a brown color). Many of the changes caused by fluoride are related to cell/matrix interactions as the teeth are forming. At the early maturation stage, the relative quantity of amelogenin protein is increased in fluorosed enamel in a dose-related manner. This appears to result from a delay in the removal of amelogenins as the enamel matures. In vitro, when fluoride is incorporated into the mineral, more protein binds to the forming mineral, and protein removal by proteinases is delayed. This suggests that altered protein/mineral interactions are in part responsible for retention of amelogenins and the resultant hypomineralization that occurs in fluorosed enamel. Fluoride also appears to enhance mineral precipitation in forming teeth, resulting in hypermineralized bands of enamel, which are then followed by hypomineralized bands. Enhanced mineral precipitation with local increases in matrix acidity may affect maturation stage ameloblast modulation, potentially explaining the dose-related decrease in cycles of ameloblast modulation from ruffle-ended to smooth-ended cells that occur with fluoride exposure in rodents. Specific cellular effects of fluoride have been implicated, but more research is needed to determine which of these changes are relevant to the formation of fluorosed teeth. As further

  11. Acute toxicity of ingested fluoride.

    Science.gov (United States)

    Whitford, Gary Milton

    2011-01-01

    This chapter discusses the characteristics and treatment of acute fluoride toxicity as well as the most common sources of overexposure, the doses that cause acute toxicity, and factors that can influence the clinical outcome. Cases of serious systemic toxicity and fatalities due to acute exposures are now rare, but overexposures causing toxic signs and symptoms are not. The clinical course of systemic toxicity from ingested fluoride begins with gastric signs and symptoms, and can develop with alarming rapidity. Treatment involves minimizing absorption by administering a solution containing calcium, monitoring and managing plasma calcium and potassium concentrations, acid-base status, and supporting vital functions. Approximately 30,000 calls to US poison control centers concerning acute exposures in children are made each year, most of which involve temporary gastrointestinal effects, but others require medical treatment. The most common sources of acute overexposures today are dental products - particularly dentifrices because of their relatively high fluoride concentrations, pleasant flavors, and their presence in non-secure locations in most homes. For example, ingestion of only 1.8 ounces of a standard fluoridated dentifrice (900-1,100 mg/kg) by a 10-kg child delivers enough fluoride to reach the 'probably toxic dose' (5 mg/kg body weight). Factors that may influence the clinical course of an overexposure include the chemical compound (e.g. NaF, MFP, etc.), the age and acid-base status of the individual, and the elapsed time between exposure and the initiation of treatment. While fluoride has well-established beneficial dental effects and cases of serious toxicity are now rare, the potential for toxicity requires that fluoride-containing materials be handled and stored with the respect they deserve. Copyright © 2011 S. Karger AG, Basel.

  12. Taurine Ameliorates Renal Oxidative Damage and Thyroid Dysfunction in Rats Chronically Exposed to Fluoride.

    Science.gov (United States)

    Adedara, Isaac A; Ojuade, Temini Jesu D; Olabiyi, Bolanle F; Idris, Umar F; Onibiyo, Esther M; Ajeigbe, Olufunke F; Farombi, Ebenezer O

    2017-02-01

    Excessive exposure to fluoride poses several detrimental effects to human health particularly the kidney which is a major organ involved in its elimination from the body. The influence of taurine on fluoride-induced renal toxicity was investigated in a co-exposure paradigm for 45 days using five groups of eight rats each. Group I rats received normal drinking water alone, group II rats were exposed to sodium fluoride (NaF) in drinking water at 15 mg/L alone, group III received taurine alone at a dose of 200 mg/kg group IV rats were co-administered with NaF and taurine (100 mg/kg), while group V rats were co-administered with NaF and taurine (200 mg/kg). Administration of taurine significantly reversed the fluoride-mediated decrease in absolute weight and organo-somatic index of the kidney in the exposed rats. Taurine significantly prevented fluoride-induced elevation in plasma urea and creatinine levels in the exposed rats. Moreover, taurine restored fluoride-mediated decrease in the circulatory concentrations of triiodothyronine, thyroxine, and the ratio of triiodothyronine to thyroxine. Taurine ameliorated fluoride-mediated decrease in renal antioxidant status by significantly enhancing the antioxidant enzyme activities as well as glutathione level in the exposed rats. Additionally, taurine inhibited fluoride-induced renal oxidative damage by markedly decreasing the hydrogen peroxide and malondialdehyde levels as well as improved the kidney architecture in the treated rats. Collectively, taurine protected against fluoride-induced renal toxicity via enhancement of thyroid gland function, renal antioxidant status, and histology in rats.

  13. Radiation-induced crosslinking of poly(vinylidene fluoride)

    International Nuclear Information System (INIS)

    Makuuchi, Keizo

    1977-07-01

    The factors influencing radiation-induced crosslinking efficiency of poly(vinylidene fluoride) (PVdF) have been studied. Results of the basic research on irradiation conditions (dose rate and atmosphere) and initial physical properties of PVdF (structure of molecular chain and molecular mobility of chain segment) showed that crosslinking efficiency is raised in irradiation at high temperature above 50 0 C under vacuum in the presence of an absorbent for the evolved hydrogen fluoride. The crosslinking reaction is also accelerated with irregular molecular structure such as head-to-head bond in main chain. High crosslinking efficiency is obtained by addition of a polyfunctional monomer having good solubility with PVdF. Mechanical properties of PVdF, the strength at high temperature near the melting point in particular, are improved by crosslinking in the presence of a polyfunctional monomer. (auth.)

  14. Fluoride level in saliva after bonding orthodontic brackets with a fluoride containing adhesive

    NARCIS (Netherlands)

    Ogaard, B; Arends, J; Helseth, H; Dijkman, G; vanderKuijl, M

    The fluoride level in saliva is considered an important parameter in caries prevention. Elevation of the salivary fluoride level by a fluoride-releasing orthodontic bonding adhesive would most likely be beneficial in the prevention of enamel caries. In this study, the fluoride level in saliva was

  15. Urinary fluoride excretion in preschool children after intake of fluoridated milk and use of fluoride-containing toothpaste

    DEFF Research Database (Denmark)

    Norman, M; Twetman, S; Hultgren Talvilahti, A

    2017-01-01

    Objective: To assess the urinary fluoride excretion in preschool children after drinking fluoridated milk with 0.185 mg F and 0.375 mg F and to study the impact of use of fluoride toothpaste. Basic research design: Double-blind cross-over study. Participants: Nine healthy children, 2.5-4.5 years...

  16. Water Fluoridation Reporting System (Public Water Systems)

    Data.gov (United States)

    U.S. Department of Health & Human Services — The Water Fluoridation Reporting System (WFRS) has been developed to provide tools to assist states in managing fluoridation programs. WFRS is designed to track all...

  17. Preparation of Bioactive Titanium Surfaces via Fluoride and Fibronectin Retention

    Directory of Open Access Journals (Sweden)

    Carlos Nelson Elias

    2012-01-01

    Full Text Available Statement of Problem. The chemical or topographic modification of the dental implant surface can affect bone healing, promote accelerated osteogenesis, and increase bone-implant contact and bonding strength. Objective. In this work, the effects of dental implant surface treatment and fibronectin adsorption on the adhesion of osteoblasts were analyzed. Materials and Methods. Two titanium dental implants (Porous-acid etching and PorousNano-acid etching followed by fluoride ion modification were characterized by high-resolution scanning electron microscopy, atomic force microscopy, and X-ray diffraction before and after the incorporation of human plasma fibronectin (FN. The objective was to investigate the biofunctionalization of these surfaces and examine their effects on the interaction with osteoblastic cells. Results. The evaluation techniques used showed that the Porous and PorousNano implants have similar microstructural characteristics. Spectrophotometry demonstrated similar levels of fibronectin adsorption on both surfaces (80%. The association indexes of osteoblastic cells in FN-treated samples were significantly higher than those in samples without FN. The radioactivity values associated with the same samples, expressed as counts per minute (cpm, suggested that FN incorporation is an important determinant of the in vitro cytocompatibility of the surfaces. Conclusion. The preparation of bioactive titanium surfaces via fluoride and FN retention proved to be a useful treatment to optimize and to accelerate the osseointegration process for dental implants.

  18. No Calcium-Fluoride-Like Deposits Detected in Plaque Shortly after a Sodium Fluoride Mouthrinse

    OpenAIRE

    Vogel, G.L.; Tenuta, L.M.A.; Schumacher, G.E.; Chow, L.C.

    2010-01-01

    Plaque ‘calcium-fluoride-like’ (CaF2-like) and fluoride deposits held by biological/bacterial calcium fluoride (Ca-F) bonds appear to be the source of cariostatic concentrations of fluoride in plaque fluid. The aim of this study was to quantify the amounts of plaque fluoride held in these reservoirs after a sodium fluoride rinse. 30 and 60 min after a 228 μg/g fluoride rinse, plaque samples were collected from 11 volunteers. Each sample was homogenized, split into 2 aliquots (aliquots 1 and 2...

  19. Arsenic Adsorption Equilibrium Concentration and Adsorption Rate of Activated Carbon Coated with Ferric-Aluminum Hydroxides

    Science.gov (United States)

    Zhang, M.; Sugita, H.; Oguma, T.; Hara, J.; Takahashi, S.

    2015-12-01

    In some areas of developing countries, ground or well water contaminated with arsenic has been reluctantly used as drinking water. It is highly desirable that effective and inexpensive arsenic removal agents should be developed and provided to reduce the potential health risk. Previous studies demonstrated that activated carbon coated with ferric-aluminum hydroxides (Fe-Al-C) has high adsorptive potential for removal of arsenic. In this study, a series of experiments using Fe-Al-C were carried to discuss adsorption equilibrium time, adsorption equilibrium concentration and adsorption rate of arsenic for Fe-Al-C. Fe-Al-C used in this study was provided by Astec Co., Ltd. Powder reagent of disodium hydrogen arsenate heptahydrate was dissolved into ion-exchanged water. The solution was then further diluted with ion-exchanged water to be 1 and 10 mg/L as arsenic concentration. The pH of the solution was adjusted to be around 7 by adding HCl and/or NaOH. The solution was used as artificial arsenic contaminated water in two types of experiments (arsenic adsorption equilibrium and arsenic adsorption rate tests). The results of the arsenic equilibrium tests were showed that a time period of about 3 days to reach apparent adsorption equilibrium for arsenic. The apparent adsorption equilibrium concentration and adsorbed amount of arsenic on Fe-Al-C adsorbent could be estimated by application of various adsorption isotherms, but the distribution coefficient of arsenic between solid and liquid varies with experimental conditions such as initial concentration of arsenic and addition concentration of adsorbent. An adsorption rate equation that takes into account the reduction in the number of effective adsorption sites on the adsorbent caused by the arsenic adsorption reaction was derived based on the data obtained from the arsenic adsorption rate tests.

  20. Computer simulation study of in-zeolites templated carbon replicas: structural and adsorption properties for hydrogen storage application; simulation numerique de repliques de zeolithes en carbone: structures et proprietes d'adsorption en vue d'une application au stockage d'hydrogene

    Energy Technology Data Exchange (ETDEWEB)

    Roussel, T

    2007-05-15

    Hydrogen storage is the key issue to envisage this gas for instance as an energy vector in the field of transportation. Porous carbons are materials that are considered as possible candidates. We have studied well-controlled microporous carbon nano-structures, carbonaceous replicas of meso-porous ordered silica materials and zeolites. We realized numerically (using Grand Canonical Monte Carlo Simulations, GCMC) the atomic nano-structures of the carbon replication of four zeolites: AlPO{sub 4}-5, silicalite-1, and Faujasite (FAU and EMT). The faujasite replicas allow nano-casting of a new form of carbon crystalline solid made of tetrahedrally or hexagonally interconnected single wall nano-tubes. The pore size networks are nano-metric giving these materials optimized hydrogen molecular storage capacities (for pure carbon phases). However, we demonstrate that these new carbon forms are not interesting for room temperature efficient storage compared to the void space of a classical gas cylinder. We showed that doping with an alkaline element, such as lithium, one could store the same quantities at 350 bar compared to a classical tank at 700 bar. This result is a possible route to achieve interesting performances for on-board docking systems for instance. (author)

  1. Computer simulation study of in-zeolites templated carbon replicas: structural and adsorption properties for hydrogen storage application; simulation numerique de repliques de zeolithes en carbone: structures et proprietes d'adsorption en vue d'une application au stockage d'hydrogene

    Energy Technology Data Exchange (ETDEWEB)

    Roussel, T

    2007-05-15

    Hydrogen storage is the key issue to envisage this gas for instance as an energy vector in the field of transportation. Porous carbons are materials that are considered as possible candidates. We have studied well-controlled microporous carbon nano-structures, carbonaceous replicas of meso-porous ordered silica materials and zeolites. We realized numerically (using Grand Canonical Monte Carlo Simulations, GCMC) the atomic nano-structures of the carbon replication of four zeolites: AlPO{sub 4}-5, silicalite-1, and Faujasite (FAU and EMT). The faujasite replicas allow nano-casting of a new form of carbon crystalline solid made of tetrahedrally or hexagonally interconnected single wall nano-tubes. The pore size networks are nano-metric giving these materials optimized hydrogen molecular storage capacities (for pure carbon phases). However, we demonstrate that these new carbon forms are not interesting for room temperature efficient storage compared to the void space of a classical gas cylinder. We showed that doping with an alkaline element, such as lithium, one could store the same quantities at 350 bar compared to a classical tank at 700 bar. This result is a possible route to achieve interesting performances for on-board docking systems for instance. (author)

  2. Mus musculus bone fluoride concentration as a useful biomarker for risk assessment of skeletal fluorosis in volcanic areas.

    Science.gov (United States)

    Linhares, Diana; Camarinho, Ricardo; Garcia, Patrícia Ventura; Rodrigues, Armindo Dos Santos

    2018-08-01

    Fluoride is often found in elevated concentrations in volcanic areas due to the release of magmatic fluorine as hydrogen fluorine through volcanic degassing. The exposure to high levels of fluoride can affect the processes of bone formation and resorption causing skeletal fluorosis, a pathology that can easily be mistaken for other skeletal diseases. In this study, we aimed to determine if fluoride concentration in the femoral bone of wild populations of the house mouse (Mus musculus) is a good biomarker of exposure to active volcanic environments naturally enriched in fluoride, allowing their use in biomonitoring programs. The fluoride concentration of the whole femoral bone of 9 mice from Furnas (5 males and 4 females) and 33 mice from Rabo de Peixe (16 males and 17 females) was measured by the potentiometric method with a fluoride ion selective electrode. Fluoride in bones was significantly higher in the mice from Furnas when compared with the mice from Rabo de Peixe (616.5 ± 129.3 μg F/g vs. 253.8 ± 10.5 μg F/g). Accumulation rates were also significantly higher in the mice collected in Furnas when compared with Rabo de Peixe individuals (3.84 ± 0.52 μg F/day vs. 1.22 ± 0.06 μg F/day). The results demonstrate a significant association between exposure to fluoride in the active volcanic environment and fluoride content in bone, revealing that bone fluoride concentration is a suitable biomarker of chronic environmental exposure to fluoride. Copyright © 2018 Elsevier Ltd. All rights reserved.

  3. Photosynthesis of ammonium uranous fluoride

    International Nuclear Information System (INIS)

    El-Fekey, S.A.; Zaki, M.R.; Farah, M.Y.

    1975-01-01

    This study pertains to utilisation of solar energy for ethanol photosynthesis of ammonium uranous fluoride, that satisfies nuclear specifications needed for calcio- or magnesiothermy. Insolation in autumn using 4-10% ethanol in 5-20 g uranium/litre at initial pH 3.25 gave practically 99.8% yield in two hours, independant of 1.0 to 2.0 stoichiometric NH 4 F. With ultraviolet light, the yield varied between 30 and 60%, even after four hours irradiation. Stirring and heating to 60 0 C raised the tap density of the dried double fluorides from 1.48 at 30 0 C, to 1.85 g/cm 3 at 60 0 C. The texture increased also in fineness to 100% 50μ aggregates. The powders satisfy nuclear purity specifications. Thermograms indicated preferential decomposition of double fluoride at 375 0 C in controlled atmosphere to obtain nuclear pure anhydrous uranium tetrafluoride

  4. Hydrogen storage by adsorption on activated carbon: investigation of the thermal effects during the charging process; Stockage de l'hydrogene par adsorption sur charbon actif: etude des effets thermiques lors de la charge dynamique d'un reservoir a lit fixe adsorbant

    Energy Technology Data Exchange (ETDEWEB)

    Hermosilla-Lara, G

    2007-02-15

    This work presents an experimental and numerical investigation of the thermal effects occurring during the charge of adsorbent fixed bed tank. The influence of these thermal effects, which result from the exothermal character of the adsorption process and the pressure forces work, on the storage capacity is specially analysed. An experimental setup allowing the dynamic measurements of the temperature and pressure profiles has been used. Then the numerical protocol with the Fluent software, has been validated by comparison of the simulated pressure, flow rate and temperature fields in the tank with the results obtained from an experimental investigation carried out the dynamic storage. Several predictive simulations have been carried out in order to study the effect of the boundary conditions, as the wall temperature or effective thermal conductivity of the porous bed, on the storage capacity of the reservoir. We searched the optimal geometry of an interbed thermal dissipator for a given industrial tank. To do this we made vary the H/L ratio, which represents the ratio of the height of an elementary stage and the total length of the tank. We could determine an optimal geometry which corresponds to the value 1/3 of the ratio H/L. From this optimum we studied the effect of five additional cooling tubes on the tank storage capacity. The stored mass is 15 % higher than that obtained without these tubes. (author)

  5. Carbon dioxide adsorption in graphene sheets

    Directory of Open Access Journals (Sweden)

    Ashish Kumar Mishra

    2011-09-01

    Full Text Available Control over the CO2 emission via automobiles and industrial exhaust in atmosphere, is one of the major concerns to render environmental friendly milieu. Adsorption can be considered to be one of the more promising methods, offering potential energy savings compared to absorbent systems. Different carbon nanostructures (activated carbon and carbon nanotubes have attracted attention as CO2 adsorbents due to their unique surface morphology. In the present work, we have demonstrated the CO2 adsorption capacity of graphene, prepared via hydrogen induced exfoliation of graphitic oxide at moderate temperatures. The CO2 adsorption study was performed using high pressure Sieverts apparatus and capacity was calculated by gas equation using van der Waals corrections. Physical adsorption of CO2 molecules in graphene was confirmed by FTIR study. Synthesis of graphene sheets via hydrogen exfoliation is possible at large scale and lower cost and higher adsorption capacity of as prepared graphene compared to other carbon nanostructures suggests its possible use as CO2 adsorbent for industrial application. Maximum adsorption capacity of 21.6 mmole/g was observed at 11 bar pressure and room temperature (25 ºC.

  6. Adsorption of dodecylamine hydrochloride on graphene oxide in water

    Directory of Open Access Journals (Sweden)

    Peng Chen

    Full Text Available Cationic surfactants in water are difficult to be degraded, leading to serious water pollution. In this work, graphene oxide (GO was used as an adsorbent for removing Dodecylamine Hydrochloride (DACl, a representative cationic surfactant. X-ray diffraction (XRD, FT-IR spectroscopy and atomic force microscope (AFM were used to characterize the prepared GO. The adsorption of DACl on GO have been investigated through measurements of adsorption capacity, zeta potential, FTIR, and X-ray photoelectron spectroscopy (XPS. The experimental results have shown that the adsorption kinetics could be described as a rate-limiting pseudo second-order process, and the adsorption isotherm agreed well with the Freundlich model. GO was a good adsorbent for DACl removal, compared with coal fly ash and powdered activated carbon. The adsorption process was endothermic, and could be attributed to electrostatic interaction and hydrogen bonding between DACl and GO. Keywords: Graphene oxide, Dodecylamine hydrochloride, Adsorption isotherm, Adsorption mechanisms

  7. SBIR-Long fluoride fiber

    Science.gov (United States)

    Jaeger, Raymond E.; Vacha, Lubos J.

    1987-08-01

    This report summarizes results obtained under a program aimed at developing new techniques for fabricating long lengths of heavy metal fluoride glass (HMFG) optical fiber. A new method for overcladding conventional HMFG preforms with a low melting oxide glass was developed, and improvements in the rotational casting method were made to increase preform length. The resulting composite glass canes consist of a fluoride glass overcoat layer to enhance strength and chemical durability. To show feasibility, prototype optical fiber preforms up to 1.6 cm in diameter with lengths of 22 cm were fabricated. These were drawn into optical fibers with lengths up to 900 meters.

  8. Adsorption of Water and Ethanol in MFI-Type Zeolites

    KAUST Repository

    Zhang, Ke

    2012-06-12

    Water and ethanol vapor adsorption phenomena are investigated systematically on a series of MFI-type zeolites: silicalite-1 samples synthesized via both alkaline (OH -) and fluoride (F -) routes, and ZSM-5 samples with different Si/Al ratios as well as different charge-balancing cations. Full isotherms (0.05-0.95 activity) over the range 25-55 °C are presented, and the lowest total water uptake ever reported in the literature is shown for silicalite-1 made via a fluoride-mediated route wherein internal silanol defects are significantly reduced. At a water activity level of 0.95 (35 °C), the total water uptake by silicalite-1 (F -) was found to be 0.263 mmol/g, which was only 12.6%, 9.8%, and 3.3% of the capacity for silicalite-1 (OH -), H-ZSM-5 (Si/Al:140), and H-ZSM-5 (Si/Al:15), respectively, under the same conditions. While water adsorption shows distinct isotherms for different MFI-type zeolites due to the difference in the concentration, distribution, and types of hydrophilic sites, the ethanol adsorption isotherms present relatively comparable results because of the overall organophilic nature of the zeolite framework. Due to the dramatic differences in the sorption behavior with the different sorbate-sorbent pairs, different models are applied to correlate and analyze the sorption isotherms. An adsorption potential theory was used to fit the water adsorption isotherms on all MFI-type zeolite adsorbents studied. The Langmuir model and Sircar\\'s model are applied to describe ethanol adsorption on silicalite-1 and ZSM-5 samples, respectively. An ideal ethanol/water adsorption selectivity (α) was estimated for the fluoride-mediated silicalite-1. At 35 °C, α was estimated to be 36 for a 5 mol % ethanol solution in water increasing to 53 at an ethanol concentration of 1 mol %. The adsorption data demonstrate that silicalite-1 made via the fluoride-mediated route is a promising candidate for ethanol extraction from dilute ethanol-water solutions. © 2012

  9. High purity hydrogen production system by the PSA method

    Energy Technology Data Exchange (ETDEWEB)

    1986-01-01

    In a process developed by Nippon Steel, coke oven gas is compressed and purified of tarry matter, sulphur compounds and gum-formers by adsorption. It is then passed through a three-tower pressure-swing adsorption system to recover hydrogen whose purity can be selected in the range 99 to 99.999%. A composite adsorption agent is used.

  10. Enhanced Hydrogen Dipole Physisorption, Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Ahn, Channing [California Inst. of Technology (CalTech), Pasadena, CA (United States)

    2014-01-03

    The hydrogen gas adsorption effort at Caltech was designed to probe and apply our understanding of known interactions between molecular hydrogen and adsorbent surfaces as part of a materials development effort to enable room temperature storage of hydrogen at nominal pressure. The work we have performed over the past five years has been tailored to address the outstanding issues associated with weak hydrogen sorbent interactions in order to find an adequate solution for storage tank technology.

  11. Experimental facilities for research of properties and behaviour of fluoride salts

    International Nuclear Information System (INIS)

    Hosnedl, P.; Jilek, M.; Kroc, V.; Pedal, L.; Valenta, V.; Vodicka, J.

    1999-01-01

    SKODA JS s.r.o. (Czech leading nuclear technology manufacturer) prepared and manufactured experimental loops for research and verification of properties and behaviour of fluoride salts for primary and secondary circuit, construction materials and ADTT systems technological components for the operation in the Nuclear Research Institute Rez plc fluorine chemistry laboratory. This paper presents charts and experimental program for molten fluoride salts experimental loops with natural circulation. Further on, the paper describes extension of the loops for research with forced circulation and next works for steam generator model verification and connection with the loop of Energovyzkum Brno. The loops are designed and constructed to obtain a sufficient amount of experience on ADTT technology. The research and utilisation program covers questions of corrosion and intergranular corrosion of structural materials, research of material properties and welding, research of fluoride fluid properties, measuring of thermo-hydraulic properties of molten salt fluoride fluids, heat transfer and hydraulics, development and tests of some plant components (steam generators, heat exchangers, pumps, valves) and other engineering issues. Two electrolyzers have been manufactured for the research of fuel/coolant fluoride salts mixture purification. One for the production of hydrogen fluoride, and the other for the research of salts purification. (author)

  12. Adsorption of selenium by amorphous iron oxyhydroxide and manganese dioxide

    Science.gov (United States)

    Balistrieri, L.S.; Chao, T.T.

    1990-01-01

    This work compares and models the adsorption of selenium and other anions on a neutral to alkaline surface (amorphous iron oxyhydroxide) and an acidic surface (manganese dioxide). Selenium adsorption on these oxides is examined as a function of pH, particle concentration, oxidation state, and competing anion concentration in order to assess how these factors might influence the mobility of selenium in the environment. The data indicate that 1. 1) amorphous iron oxyhydroxide has a greater affinity for selenium than manganese dioxide, 2. 2) selenite [Se(IV)] adsorption increases with decreasing pH and increasing particle concentration and is stronger than selenate [Se(VI)] adsorption on both oxides, and 3. 3) selenate does not adsorb on manganese dioxide. The relative affinity of selenate and selenite for the oxides and the lack of adsorption of selenate on a strongly acidic surface suggests that selenate forms outer-sphere complexes while selenite forms inner-sphere complexes with the surfaces. The data also indicate that the competition sequence of other anions with respect to selenite adsorption at pH 7.0 is phosphate > silicate > molybdate > fluoride > sulfate on amorphous iron oxyhydroxide and molybdate ??? phosphate > silicate > fluoride > sulfate on manganese dioxide. The adsorption of phosphate, molybdate, and silicate on these oxides as a function of pH indicates that the competition sequences reflect the relative affinities of these anions for the surfaces. The Triple Layer surface complexation model is used to provide a quantitative description of these observations and to assess the importance of surface site heterogeneity on anion adsorption. The modeling results suggest that selenite forms binuclear, innersphere complexes with amorphous iron oxyhydroxide and monodentate, inner-sphere complexes with manganese dioxide and that selenate forms outer-sphere, monodentate complexes with amorphous iron oxyhydroxide. The heterogeneity of the oxide surface sites

  13. Silver diamine fluoride: a caries "silver-fluoride bullet".

    Science.gov (United States)

    Rosenblatt, A; Stamford, T C M; Niederman, R

    2009-02-01

    The antimicrobial use of silver compounds pivots on the 100-year-old application of silver nitrate, silver foil, and silver sutures for the prevention and treatment of ocular, surgical, and dental infections. Ag(+) kills pathogenic organisms at concentrations of linings, water purification systems, hospital gowns, and caries prevention. To distill the current best evidence relative to caries, this systematic review asked: Will silver diamine fluoride (SDF) more effectively prevent caries than fluoride varnish? A five-database search, reference review, and hand search identified 99 human clinical trials in three languages published between 1966 and 2006. Dual review for controlled clinical trials with the patient as the unit of observation, and excluding cross-sectional, animal, in vitro studies, and opinions, identified 2 studies meeting the inclusion criteria. The trials indicated that SDF's lowest prevented fractions for caries arrest and caries prevention were 96.1% and 70.3%, respectively. In contrast, fluoride varnish's highest prevented fractions for caries arrest and caries prevention were 21.3% and 55.7%, respectively. Similarly, SDF's highest numbers needed to treat for caries arrest and caries prevention were 0.8 (95% CI=0.5-1.0) and 0.9 (95% CI=0.4-1.1), respectively. For fluoride varnish, the lowest numbers needed to treat for caries arrest and prevention were 3.7 (95% CI=3.4-3.9) and 1.1 (95% CI=0.7-1.4), respectively. Adverse events were monitored, with no significant differences between control and experimental groups. These promising results suggest that SDF is more effective than fluoride varnish, and may be a valuable caries-preventive intervention. As well, the availability of a safe, effective, efficient, and equitable caries-preventive agent appears to meet the criteria of both the WHO Millennium Goals and the US Institute of Medicine's criteria for 21st century medical care.

  14. Toxic effects of fluoride on organisms.

    Science.gov (United States)

    Zuo, Huan; Chen, Liang; Kong, Ming; Qiu, Lipeng; Lü, Peng; Wu, Peng; Yang, Yanhua; Chen, Keping

    2018-04-01

    Accumulation of excess fluoride in the environment poses serious health risks to plants, animals, and humans. This endangers human health, affects organism growth and development, and negatively impacts the food chain, thereby affecting ecological balance. In recent years, numerous studies focused on the molecular mechanisms associated with fluoride toxicity. These studies have demonstrated that fluoride can induce oxidative stress, regulate intracellular redox homeostasis, and lead to mitochondrial damage, endoplasmic reticulum stress and alter gene expression. This paper reviews the present research on the potential adverse effects of overdose fluoride on various organisms and aims to improve our understanding of fluoride toxicity. Copyright © 2018 Elsevier Inc. All rights reserved.

  15. Chemical treatment of ammonium fluoride solution in uranium reconversion plant

    International Nuclear Information System (INIS)

    Carvalho Frajndlich, E.U. de.

    1992-01-01

    A chemical procedure is described for the treatment of the filtrate, produced from the transformation of uranium hexafluoride (U F 6 ) into ammonium uranyl carbonate (AUC). This filtrate is an intermediate product in the U F 6 to uranium dioxide (U O 2 ) reconversion process. The described procedure recovers uranium as ammonium peroxide fluoro uranate (APOFU) by precipitation with hydrogen peroxide (H 2 O 2 ), and as later step, its calcium fluoride (CaF 2 ) co-precipitation. The recovered uranium is recycled to the AUC production plant. (author)

  16. Fluoride remediation using floating macrophytes

    Directory of Open Access Journals (Sweden)

    Naba Kumar Mondal

    2014-04-01

    Full Text Available Six aquatic macrophytes, such as Pistia stratiotes, Ceratophyllum demersum, Nymphoides indica, Lemna major, Azolla pinnata,and Eichhornia crassipes were considered for remove fluoride from aqueous solution. Five different concentrations (10, 30, 50, and 100 ppm of fluoride solution were taken in 1 L plastic container. Fixed weight (20 g of macrophytes along with 500 ml fluoride solution was taken in each plastic container for 72 hours observation. Results demonstrated all the macrophytes show highest fluoride removal during 24 h to 48 h, but after 72 h their efficiency reduced drastically. The species N. indica showed better removal efficiency than other experimental macrophytes. In general, pigment measurement data indicated higher concentration at 72 h. However, Pistia sp. showed higher concentration of pigmentation at intermediate time interval (48 h. Higher level of dry weight to fresh weight ratio was recorded for L. major and A. pinnata at all concentrations, excepting at 10 ppm. In addition, all macrophytes showed lower RGR at higher concentration. Isotherm study indicated that macrophyte C. demersum is a good fitted with Freundlich and Langmuir isotherm whereas L. major with Langmuir isotherm during 24 hours.

  17. Hydrogen storage by physisorption on porous materials

    Energy Technology Data Exchange (ETDEWEB)

    Panella, B.

    2006-09-13

    A great challenge for commercializing hydrogen powered vehicles is on-board hydrogen storage using economic and secure systems. A possible solution is hydrogen storage in light-weight solid materials. Here three principle storage mechanisms can be distinguished: i) absorption of hydrogen in metals ii) formation of compounds with ionic character, like complex hydrides and iii) physisorption (or physical adsorption) of hydrogen molecules on porous materials. Physical adsorption exhibits several advantages over chemical hydrogen storage as for example the complete reversibility and the fast kinetics. Two classes of porous materials were investigated for physical hydrogen storage, i.e. different carbon nanostructures and crystalline metal-organic frameworks possessing extremely high specific surface area. Hydrogen adsorption isotherms were measured using a Sieverts' apparatus both at room temperature and at 77 K at pressures up to the saturation regime. Additionally, the adsorption sites of hydrogen in these porous materials were identified using thermal desorption spectroscopy extended to very low temperatures (down to 20 K). Furthermore, the adsorbed hydrogen phase was studied in various materials using Raman spectroscopy at different pressures and temperatures. The results show that the maximum hydrogen storage capacity of porous materials correlates linearly with the specific surface area and is independent of structure and composition. In addition the pore structure of the adsorbent plays an important role for hydrogen storage since the adsorption sites for H2 could be assigned to pores possessing different dimensions. Accordingly it was shown that small pores are necessary to reach high storage capacities already at low pressures. This new understanding may help to tailor and optimize new porous materials for hydrogen storage. (orig.)

  18. Hydrogen storage by physisorption on porous materials

    Energy Technology Data Exchange (ETDEWEB)

    Panella, B

    2006-09-13

    A great challenge for commercializing hydrogen powered vehicles is on-board hydrogen storage using economic and secure systems. A possible solution is hydrogen storage in light-weight solid materials. Here three principle storage mechanisms can be distinguished: i) absorption of hydrogen in metals ii) formation of compounds with ionic character, like complex hydrides and iii) physisorption (or physical adsorption) of hydrogen molecules on porous materials. Physical adsorption exhibits several advantages over chemical hydrogen storage as for example the complete reversibility and the fast kinetics. Two classes of porous materials were investigated for physical hydrogen storage, i.e. different carbon nanostructures and crystalline metal-organic frameworks possessing extremely high specific surface area. Hydrogen adsorption isotherms were measured using a Sieverts' apparatus both at room temperature and at 77 K at pressures up to the saturation regime. Additionally, the adsorption sites of hydrogen in these porous materials were identified using thermal desorption spectroscopy extended to very low temperatures (down to 20 K). Furthermore, the adsorbed hydrogen phase was studied in various materials using Raman spectroscopy at different pressures and temperatures. The results show that the maximum hydrogen storage capacity of porous materials correlates linearly with the specific surface area and is independent of structure and composition. In addition the pore structure of the adsorbent plays an important role for hydrogen storage since the adsorption sites for H2 could be assigned to pores possessing different dimensions. Accordingly it was shown that small pores are necessary to reach high storage capacities already at low pressures. This new understanding may help to tailor and optimize new porous materials for hydrogen storage. (orig.)

  19. Preparation of fly ash based zeolite for removal of fluoride from drinking water

    Science.gov (United States)

    Panda, Laxmidhar; Kar, Biswabandita; Dash, Subhakanta

    2018-05-01

    Fluoride contamination of drinking water is a worldwide phenomenon and scientists are working relentlessly to find ways to remove fluoride from drinking water. Out of the different methods employed for removal fluoride from drinking water adsorption process is the most suitable because in this process the adsorbent is regenerated and the process is cost effective. In the present study fly ash is used as the raw material, which is treated with alkali (NaOH) to form NaP1 zeolite. This zeolite is then subjected to characterization by standard procedures. It is found that the synthesized zeolite has more crystalline character than the raw fly ash and has also more voids and channels on its surface. The surface of the synthesized zeolite is modified with calcium chloride and the same is employed for removal of fluoride under varying pH, contact time, initial concentration of fluoride, temperature and adsorbent dose etc so as to assess the suitably or otherwise of the synthesized product.

  20. Dipotassium hydrogencarbonate fluoride monohydrate

    Directory of Open Access Journals (Sweden)

    Volker Kahlenberg

    2013-04-01

    Full Text Available Single crystals of the title compound, K2(HCO3F·H2O, were obtained as a secondary product after performing flux synthesis experiments aimed at the preparation of potassium rare earth silicates. The basic building unit of the structure is an [(HCO3(H2OF]2− zigzag chain running parallel to [001]. Both types of anions as well as the water molecules reside on mirror planes perpendicular to [010] at y = 0.25 and y = 0.75, respectively. Linkage between the different constituents of the chains is provided by O—H...O and O—H...F hydrogen bonding. The K+ cations are located between the chains and are coordinated by two F and five O atoms in form of a distorted monocapped trigonal prism.

  1. Alimentary fluoride intake in preschool children

    Directory of Open Access Journals (Sweden)

    Lencova Erika

    2011-10-01

    Full Text Available Abstract Background The knowledge of background alimentary fluoride intake in preschool children is of utmost importance for introducing optimal and safe caries preventive measures for both individuals and communities. The aim of this study was to assess the daily fluoride intake analyzing duplicate samples of food and beverages. An attempt was made to calculate the daily intake of fluoride from food and swallowed toothpaste. Methods Daily alimentary fluoride intake was measured in a group of 36 children with an average age of 4.75 years and an average weight of 20.69 kg at baseline, by means of a double plate method. This was repeated after six months. Parents recorded their child's diet over 24 hours and collected duplicated portions of food and beverages received by children during this period. Pooled samples of food and beverages were weighed and solid food samples were homogenized. Fluoride was quantitatively extracted from solid food samples by a microdiffusion method using hexadecyldisiloxane and perchloric acid. The content of fluoride extracted from solid food samples, as well as fluoride in beverages, was measured potentiometrically by means of a fluoride ion selective electrode. Results Average daily fluoride intake at baseline was 0.389 (SD 0.054 mg per day. Six months later it was 0.378 (SD 0.084 mg per day which represents 0.020 (SD 0.010 and 0.018 (SD 0.008 mg of fluoride respectively calculated per kg bw/day. When adding the values of unwanted fluoride intake from the toothpaste shown in the literature (0.17-1.21 mg per day the estimate of the total daily intake of fluoride amounted to 0.554-1.594 mg/day and recalculated to the child's body weight to 0.027-0.077 mg/kg bw/day. Conclusions In the children studied, observed daily fluoride intake reached the threshold for safe fluoride intake. When adding the potential fluoride intake from swallowed toothpaste, alimentary intake reached the optimum range for daily fluoride intake

  2. GAT 4 production and storage of hydrogen. Report July 2004

    International Nuclear Information System (INIS)

    2004-01-01

    This paper concerns two aspects of the hydrogen: the production and the storage. For both parts the challenges and a state of the art are presented. It discusses also the hydrogen production by renewable energies, by solar energy, the hydrogen of hydrocarbons reforming purification, active phases development, thermal transfer simulation. Concerning the hydrogen storage the hydrogen adsorption by large surface solid, the storage by metallic hydrides, the alanates and light hydrides, the adsorption on carbon nano-tubes, the storage in nano-structures, the thermal and mechanical simulation of the hydrogen are presented. (A.L.B.)

  3. Preparation and chemical crystallographic study of new hydrides and hydro-fluorides of ionic character; Preparation et etude cristallochimique de nouveaux hydrures et fluorohydrures a caractere ionique

    Energy Technology Data Exchange (ETDEWEB)

    Park, Hyung-Ho

    1988-07-22

    Within the context of a growing interest in the study of reversible hydrides with the perspective of their application in hydrogen storage, this research thesis more particularly addressed the case of ternary hydrides and fluorides, and of hydro-fluorides. The author reports the development of a method of preparation of alkaline hydrides, of alkaline earth hydrides and of europium hydride, and then the elaboration of ternary hydrides. He addresses the preparation of caesium fluorides and of calcium or nickel fluorides, of Europium fluorides, and of ternary fluorides. Then, he addresses the preparation of hydro-fluorides (caesium, calcium, europium fluorides, and caesium and nickel fluorides). The author presents the various experimental techniques: chemical analysis, radio-crystallographic analysis, volumetric mass density measurement, magnetic measurements, ionic conductivity measurements, Moessbauer spectroscopy, and nuclear magnetic resonance. He reports the crystallographic study of some ternary alkaline and alkaline-earth hydrides (KH-MgH{sub 2}, RbH-CaH{sub 2}, CsH-CaH{sub 2}, RbH-MgH{sub 2} and CsH-MgH{sub 2}) and of some hydro-fluorides (CsCaF{sub 2}H, EuF{sub 2}H, CsNiF{sub 2}H) [French] Dans une premiere partie, de nouveaux hydrures ternaires ont ete prepares et caracterises. Les systemes etudies sont AH-MH 2 (A = K, Rb, Cs et M = Mg, Ca). Dans les systemes AH-MgH 2 l'evolution structurale a ete discutee en fonction du caractere iono-covalent de la liaison magnesium-hydrogene. Dans une deuxieme partie, plusieurs nouveaux fluorohydrures ont ete mis en evidence. L'effet de la substitution de l'hydrogene au fluor dans ces phases a ete etudiee en utilisant la RMN, la spectroscopie Moessbauer, la conductivite ionique et les mesures magnetiques.

  4. Influence of adsorbed carbon dioxide on hydrogen electrosorption in palladium-platinum-rhodium alloys

    International Nuclear Information System (INIS)

    Lukaszewski, M.; Grden, M.; Czerwinski, A.

    2004-01-01

    Carbon dioxide electroreduction was applied to examine the processes of hydrogen electrosorption (adsorption, absorption and desorption) by thin electrodeposits of Pd-Pt-Rh alloys under conditions of cyclic voltammetric (CV) experiments. Due to different adsorption characteristics towards the adsorption product of the electroreduction of CO 2 (reduced CO 2 ) exhibited by the alloy components hydrogen adsorption and hydrogen absorption signals can be distinguished on CV curves. Reduced CO 2 causes partial blocking of hydrogen adsorbed on surface Pt and Rh atoms, without any significant effect on hydrogen absorption into alloy. It reflects the fact that adsorbed hydrogen bonded to Pd atoms does not participate in CO 2 reduction, while hydrogen adsorbed on Pt and Rh surface sites is inactive in the absorption reaction. In contrast, CO is adsorbed on all alloy components and causes a marked inhibition of hydrogen sorption (both adsorption and absorption)/desorption reactions

  5. Hydrogen storage in nanostructured materials

    Energy Technology Data Exchange (ETDEWEB)

    Assfour, Bassem

    2011-02-28

    Hydrogen is an appealing energy carrier for clean energy use. However, storage of hydrogen is still the main bottleneck for the realization of an energy economy based on hydrogen. Many materials with outstanding properties have been synthesized with the aim to store enough amount of hydrogen under ambient conditions. Such efforts need guidance from material science, which includes predictive theoretical tools. Carbon nanotubes were considered as promising candidates for hydrogen storage applications, but later on it was found to be unable to store enough amounts of hydrogen under ambient conditions. New arrangements of carbon nanotubes were constructed and hydrogen sorption properties were investigated using state-of-the-art simulation methods. The simulations indicate outstanding total hydrogen uptake (up to 19.0 wt.% at 77 K and 5.52wt.% at 300 K), which makes these materials excellent candidates for storage applications. This reopens the carbon route to superior materials for a hydrogen-based economy. Zeolite imidazolate frameworks are subclass of MOFs with an exceptional chemical and thermal stability. The hydrogen adsorption in ZIFs was investigated as a function of network geometry and organic linker exchange. Ab initio calculations performed at the MP2 level to obtain correct interaction energies between hydrogen molecules and the ZIF framework. Subsequently, GCMC simulations are carried out to obtain the hydrogen uptake of ZIFs at different thermodynamic conditions. The best of these materials (ZIF-8) is found to be able to store up to 5 wt.% at 77 K and high pressure. We expected possible improvement of hydrogen capacity of ZIFs by substituting the metal atom (Zn{sup 2+}) in the structure by lighter elements such as B or Li. Therefore, we investigated the energy landscape of LiB(IM)4 polymorphs in detail and analyzed their hydrogen storage capacities. The structure with the fau topology was shown to be one of the best materials for hydrogen storage. Its

  6. Factors influencing the removal of fluoride from aqueous solution by calcined Mg-Al-CO{sub 3} layered double hydroxides

    Energy Technology Data Exchange (ETDEWEB)

    Lv Liang [Key Laboratory of Science and Technology of Controllable Chemical Reactions, Ministry of Education, Beijing University of Chemical Technology, Box 98, 15 Bei San Huan Dong Lu, Chao Yang District, Beijing 100029 (China); West Branch of Zhejiang University of Technology, Zhejiang 324006 (China); He Jing [Key Laboratory of Science and Technology of Controllable Chemical Reactions, Ministry of Education, Beijing University of Chemical Technology, Box 98, 15 Bei San Huan Dong Lu, Chao Yang District, Beijing 100029 (China); Wei Min [Key Laboratory of Science and Technology of Controllable Chemical Reactions, Ministry of Education, Beijing University of Chemical Technology, Box 98, 15 Bei San Huan Dong Lu, Chao Yang District, Beijing 100029 (China); Evans, D.G. [Key Laboratory of Science and Technology of Controllable Chemical Reactions, Ministry of Education, Beijing University of Chemical Technology, Box 98, 15 Bei San Huan Dong Lu, Chao Yang District, Beijing 100029 (China); Duan Xue [Key Laboratory of Science and Technology of Controllable Chemical Reactions, Ministry of Education, Beijing University of Chemical Technology, Box 98, 15 Bei San Huan Dong Lu, Chao Yang District, Beijing 100029 (China)]. E-mail: duanx@mail.buct.edu.cn

    2006-05-20

    Layered double hydroxides (LDH) calcined at different temperatures (denoted as CLDH) have been demonstrated to recover their original layered structure in the presence of appropriate anions. In the light of this so-called 'memory effect', a study of removal of fluoride from aqueous solution by calcined Mg-Al-CO{sub 3}-LDH has been carried out. The LDH calcined at 500 deg. C had the highest capacity of removal of fluoride ion, because of retention of its intrinsic structure. The CLDH with an Mg/Al ratio of 2 has a remarkable ability to adsorb anions. The adsorption loading is higher for the calcined Mg-Al-LDH than for calcined Zn-Al and Ni-Al-LDH. The influence of varying the conditions for removal of fluoride, such as the pH of aqueous solution, the initial fluoride concentration, the dosage of adsorbent, and temperature on removal of fluoride have been investigated. The influence of co-existing anions in fluoride aqueous solution indicates that the percentage of removal of fluoride increased in order PO{sub 4} {sup 3-} < Cl{sup -} {approx} SO{sub 4} {sup 2-} < Br{sup -} << NO{sub 3} {sup -}. It was found that maximum removal of fluoride from aqueous solutions was obtained in 6 h at pH 6.0 with an initial concentration of 50 mg/L, and that the retention of fluoride ions by the CLDH material was 98% or higher. The residual fluoride concentration was found to be 0.4 mg/L with an initial concentration of 20 mg/L, which meets the national standard for drinking water quality. The Freundlich isotherm and Langmuir isotherm were used to fit the data of equilibrium experiments. The results of X-ray diffraction, FT-IR and TG-MS demonstrate that the adsorption phenomenon is accompanied by rehydration with concomitant uptake of fluoride ions to rebuild the initial layered structure.

  7. Hydrogen energy

    International Nuclear Information System (INIS)

    2005-03-01

    This book consists of seven chapters, which deals with hydrogen energy with discover and using of hydrogen, Korean plan for hydrogen economy and background, manufacturing technique on hydrogen like classification and hydrogen manufacture by water splitting, hydrogen storage technique with need and method, hydrogen using technique like fuel cell, hydrogen engine, international trend on involving hydrogen economy, technical current for infrastructure such as hydrogen station and price, regulation, standard, prospect and education for hydrogen safety and system. It has an appendix on related organization with hydrogen and fuel cell.

  8. STUDY OF HYDROGEN SULFIDE REMOVAL FROM GROUNDWATER

    Directory of Open Access Journals (Sweden)

    T. Lupascu

    2013-06-01

    Full Text Available The process of the hydrogen sulfide removal from the underground water of the Hancesti town has been investigated. By oxygen bubbling through the water containing hydrogen sulfide, from the Hancesti well tube, sulfur is deposited in the porous structure of studied catalysts, which decreases their catalytic activity. Concomitantly, the process of adsorption / oxidation of hydrogen sulfide to sulfate take place. The kinetic research of the hydrogen sulfide removal from the Hancesti underground water, after its treatment by hydrogen peroxide, proves greater efficiency than in the case of modified carbonic adsorbents. As a result of used treatment, hydrogen sulfide is completely oxidized to sulfates

  9. Hydrogen production from hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Docekal, J

    1986-01-01

    Hydrogen is an important feed stock for chemical and petroleum industries, in addition to being considered as the energy carrier of the future. At the present time the feed stock hydrogen is mainly manufactured from hydrocarbons using steam reforming. In steam reforming two processes are employed, the conventional process and PSA (pressure swing adsorption) process. These two processes are described and compared. The results show that the total costs and the maintenance costs are lower for the PSA process, the capital outlay is lower for the conventional process, and the operating costs are similar for the two processes.

  10. Hydrogen storage capacity of lithium-doped KOH activated carbons

    International Nuclear Information System (INIS)

    Minoda, Ai; Oshima, Shinji; Iki, Hideshi; Akiba, Etsuo

    2014-01-01

    Highlights: • The hydrogen adsorption of lithium-doped KOH activated carbons has been studied. • Lithium doping improves their hydrogen adsorption affinity. • Lithium doping is more effective for materials with micropores of 0.8 nm or smaller. • Lithium reagent can alter the pore structure, depending on the raw material. • Optimizing the pore size and functional group is needed for better hydrogen uptake. - Abstract: The authors have studied the hydrogen adsorption performance of several types of lithium-doped KOH activated carbons. In the case of activated cokes, lithium doping improves their hydrogen adsorption affinity from 5.02 kg/m 3 to 5.86 kg/m 3 at 303 K. Hydrogen adsorption density increases by around 17% after lithium doping, likely due to the fact that lithium doping is more effective for materials with micropores of 0.8 nm or smaller. The effects of lithium on hydrogen storage capacity vary depending on the raw material, because the lithium reagent can react with the material and alter the pore structure, indicating that lithium doping has the effect of plugging or filling the micropores and changing the structures of functional groups, resulting in the formation of mesopores. Despite an observed decrease in hydrogen uptake, lithium doping was found to improve hydrogen adsorption affinity. Lithium doping increases hydrogen uptake by optimizing the pore size and functional group composition

  11. (Amino acid + silica) adsorption thermodynamics: Effects of temperature

    International Nuclear Information System (INIS)

    Sebben, Damien; Pendleton, Phillip

    2015-01-01

    Highlights: • High resolution, low concentration Gly, Lys and Glu solution adsorption isotherms. • All isotherms fitted with Langmuir–Freundlich isotherm model. • Gly, Lys and Glu show exothermic adsorption processes. • Isosteric heat analyses reveal changes in interaction strength with surface coverage. - Abstract: A thorough understanding of amino acid adsorption by mineral and oxide surfaces has a major impact on a variety of industrial and biomedical applications. Little information currently exists regarding temperature effects on most of these adsorption processes. Deeper thermodynamic analyses of their multiple temperature adsorption isotherms would aid the interpretation of the interfacial interactions. Low solution concentration adsorption isotherms for glycine, lysine and glutamic acid on a silica adsorbent were generated for T = (291, 298 and 310) K. Data analysis via the Clausius–Clapeyron method yielded the isosteric heat of adsorption as a function of fractional monolayer coverage for each adsorptive. Each amino acid showed an exothermic adsorption response. Glycine and lysine experienced a greater negative effect of increased temperature compared with glutamic acid, indicating a greater number of adsorbed molecules than glutamic acid, with the former undergoing intermolecular clustering within the adsorbed phase. Isosteric heat analyses suggest ionic interactions for lysine and hydrogen bonding for glutamic acid, both weakening with increased coverage. In contrast, initial hydrogen bonding led to ionic bonding for glycine with increasing coverage

  12. Groundwater fluoride enrichment in an active rift setting: Central Kenya Rift case study

    Energy Technology Data Exchange (ETDEWEB)

    Olaka, Lydia A., E-mail: lydiaolaka@gmail.com [Department of Geology, University of Nairobi, P.O Box 30197, Nairobi (Kenya); Wilke, Franziska D.H. [Geoforschungs Zentrum, Telegrafenberg, 14473 Potsdam (Germany); Olago, Daniel O.; Odada, Eric O. [Department of Geology, University of Nairobi, P.O Box 30197, Nairobi (Kenya); Mulch, Andreas [Senckenberg Biodiversity and Climate Research Centre, Senckenberganlage 25, 60325 Frankfurt (Germany); Institut für Geowissenschaften, Goethe Universität Frankfurt, Altenhöferallee 1, 60438 Frankfurt (Germany); Musolff, Andreas [UFZ-Helmholtz-Centre for Environmental Research, Department of Hydrogeology, Permoserstr. 15, 04318 Leipzig (Germany)

    2016-03-01

    Groundwater is used extensively in the Central Kenya Rift for domestic and agricultural demands. In these active rift settings groundwater can exhibit high fluoride levels. In order to address water security and reduce human exposure to high fluoride in drinking water, knowledge of the source and geochemical processes of enrichment are required. A study was therefore carried out within the Naivasha catchment (Kenya) to understand the genesis, enrichment and seasonal variations of fluoride in the groundwater. Rocks, rain, surface and groundwater sources were sampled for hydrogeochemical and isotopic investigations, the data was statistically and geospatially analyzed. Water sources have variable fluoride concentrations between 0.02–75 mg/L. 73% exceed the health limit (1.5 mg/L) in both dry and wet seasons. F{sup −} concentrations in rivers are lower (0.2–9.2 mg/L) than groundwater (0.09 to 43.6 mg/L) while saline lake waters have the highest concentrations (0.27–75 mg/L). The higher values are confined to elevations below 2000 masl. Oxygen (δ{sup 18}O) and hydrogen (δD) isotopic values range from − 6.2 to + 5.8‰ and − 31.3 to + 33.3‰, respectively, they are also highly variable in the rift floor where they attain maximum values. Fluoride base levels in the precursor vitreous volcanic rocks are higher (between 3750–6000 ppm) in minerals such as cordierite and muscovite while secondary minerals like illite and kaolinite have lower remnant fluoride (< 1000 ppm). Thus, geochemical F{sup −} enrichment in regional groundwater is mainly due to a) rock alteration, i.e. through long residence times and natural discharge and/or enhanced leakages of deep seated geothermal water reservoirs, b) secondary concentration fortification of natural reservoirs through evaporation, through reduced recharge and/or enhanced abstraction and c) through additional enrichment of fluoride after volcanic emissions. The findings are useful to help improve water management

  13. Eukaryotic resistance to fluoride toxicity mediated by a widespread family of fluoride export proteins.

    Science.gov (United States)

    Li, Sanshu; Smith, Kathryn D; Davis, Jared H; Gordon, Patricia B; Breaker, Ronald R; Strobel, Scott A

    2013-11-19

    Fluorine is an abundant element and is toxic to organisms from bacteria to humans, but the mechanisms by which eukaryotes resist fluoride toxicity are unknown. The Escherichia coli gene crcB was recently shown to be regulated by a fluoride-responsive riboswitch, implicating it in fluoride response. There are >8,000 crcB homologs across all domains of life, indicating that it has an important role in biology. Here we demonstrate that eukaryotic homologs [renamed FEX (fluoride exporter)] function in fluoride export. FEX KOs in three eukaryotic model organisms, Neurospora crassa, Saccharomyces cerevisiae, and Candida albicans, are highly sensitized to fluoride (>200-fold) but not to other halides. Some of these KO strains are unable to grow in fluoride concentrations found in tap water. Using the radioactive isotope of fluoride, (18)F, we developed an assay to measure the intracellular fluoride concentration and show that the FEX deletion strains accumulate fluoride in excess of the external concentration, providing direct evidence of FEX function in fluoride efflux. In addition, they are more sensitive to lower pH in the presence of fluoride. These results demonstrate that eukaryotic FEX genes encode a previously unrecognized class of fluoride exporter necessary for survival in standard environmental conditions.

  14. Hydrogen retention properties of lithium film

    International Nuclear Information System (INIS)

    Kanaya, Koh; Yamauchi, Yuji; Hirohata, Yuko; Hino, Tomoaki; Mori, Kintaro

    1998-01-01

    Hydrogen retention properties of Li films and lithium oxide-lithium hydroxide (Li 2 O-LiOH) mixed films were investigated by two methods, hydrogen ion irradiation and hydrogen glow discharge. In a case of the hydrogen ion irradiation, thermal desorption spectrum of hydrogen retained in Li 2 O-LiOH film had two desorption peaks at around 470 K and 570 K. The ratio between retained hydrogen and Li atom was about 0.7. In a case of the hydrogen glow discharge, the hydrogen was also gettered in Li film during the discharge. The ratio of H/Li was almost 0.9. Most of gettered hydrogen desorbed by a baking with a temperature of 370 K. On the contrary, when the Li film exposed to the atmosphere was irradiated by the hydrogen plasma, the desorption of H 2 O was observed in addition to the adsorption of H 2 . (author)

  15. Comparative study of hydrogen storage on metal doped mesoporous materials

    Science.gov (United States)

    Carraro, P. M.; Sapag, K.; Oliva, M. I.; Eimer, G. A.

    2018-06-01

    The hydrogen adsorption capacity of mesoporous materials MCM-41 modified with Co, Fe, Ti, Mg and Ni at 77 K and 10 bar was investigated. Various techniques including XRD, N2 adsorption and DRUV-vis were employed for the materials characterization. The results showed that a low nickel loading on MCM-41 support promoted the presence of hydrogen-favorable sites, increasing the hydrogen storage capacity.

  16. DISSOLUTION OF LANTHANUM FLUORIDE PRECIPITATES

    Science.gov (United States)

    Fries, B.A.

    1959-11-10

    A plutonium separatory ore concentration procedure involving the use of a fluoride type of carrier is presented. An improvement is given in the derivation step in the process for plutonium recovery by carrier precipitation of plutonium values from solution with a lanthanum fluoride carrier precipitate and subsequent derivation from the resulting plutonium bearing carrier precipitate of an aqueous acidic plutonium-containing solution. The carrier precipitate is contacted with a concentrated aqueous solution of potassium carbonate to effect dissolution therein of at least a part of the precipitate, including the plutonium values. Any remaining precipitate is separated from the resulting solution and dissolves in an aqueous solution containing at least 20% by weight of potassium carbonate. The reacting solutions are combined, and an alkali metal hydroxide added to a concentration of at least 2N to precipitate lanthanum hydroxide concomitantly carrying plutonium values.

  17. Groundwater fluoride contamination: A reappraisal

    Directory of Open Access Journals (Sweden)

    Amlan Banerjee

    2015-03-01

    Full Text Available Dissolution of fluorite (CaF2 and/or fluorapatite (FAP [Ca5(PO43F], pulled by calcite precipitation, is thought to be the dominant mechanism responsible for groundwater fluoride (F− contamination. Here, one dimensional reactive–transport models are developed to test this mechanism using the published dissolution and precipitation rate kinetics for the mineral pair FAP and calcite. Simulation results correctly show positive correlation between the aqueous concentrations of F− and CO32− and negative correlation between F− and Ca2+. Results also show that precipitation of calcite, contrary to the present understanding, slows down the FAP dissolution by 106 orders of magnitude compared to the FAP dissolution by hydrolysis. For appreciable amount of fluoride contamination rock–water interaction time must be long and of order 106 years.

  18. Fluoride Removal from pretreated Photovoltaic Wastewater by Electrocoagulation: An Investigation of The Effect of Operational Parameters

    KAUST Repository

    Drouiche, Nadjib; Aoudj, Saleh; Lounici, Hakim; Drouiche, M.; Ouslimane, Tarik; Ghaffour, Norredine

    2012-01-01

    In this paper, application of electrocoagulation using common iron electrode to a simulated photovoltaic wastewater after precipitation with lime (Ca(OH)2) was investigated. Electrocoagulation process delivers the coagulant in situ as the sacrificial anode corrodes, while the simultaneous evolution of hydrogen at the cathode allows pollutant removal by flotation. Several working parameters, such as initial pH, applied potential and distance between the electrodes, were studied in an attempt to achieve higher fluoride removal efficiency. The optimum conditions for the process were identified as pH = 6, the distance between electrodes = 1 and an applied potential of 30 V. Furthermore fluoride removal is under the direct discharge standards.Results showed high effectivenessof the electrocoagulation method in removing fluoride from aqueous solutions.

  19. Fluoride Removal from pretreated Photovoltaic Wastewater by Electrocoagulation: An Investigation of The Effect of Operational Parameters

    KAUST Repository

    Drouiche, Nadjib

    2012-03-20

    In this paper, application of electrocoagulation using common iron electrode to a simulated photovoltaic wastewater after precipitation with lime (Ca(OH)2) was investigated. Electrocoagulation process delivers the coagulant in situ as the sacrificial anode corrodes, while the simultaneous evolution of hydrogen at the cathode allows pollutant removal by flotation. Several working parameters, such as initial pH, applied potential and distance between the electrodes, were studied in an attempt to achieve higher fluoride removal efficiency. The optimum conditions for the process were identified as pH = 6, the distance between electrodes = 1 and an applied potential of 30 V. Furthermore fluoride removal is under the direct discharge standards.Results showed high effectivenessof the electrocoagulation method in removing fluoride from aqueous solutions.

  20. Thermodynamic data for uranium fluorides

    International Nuclear Information System (INIS)

    Leitnaker, J.M.

    1983-03-01

    Self-consistent thermodynamic data have been tabulated for uranium fluorides between UF 4 and UF 6 , including UF 4 (solid and gas), U 4 F 17 (solid), U 2 F 9 (solid), UF 5 (solid and gas), U 2 F 10 (gas), and UF 6 (solid, liquid, and gas). Included are thermal function - the heat capacity, enthalpy, and free energy function, heats of formation, and vaporization behavior

  1. Purification process of uranium hexafluoride containing traces of plutonium fluoride and/or neptunium fluoride

    International Nuclear Information System (INIS)

    Aubert, J.; Bethuel, L.; Carles, M.

    1983-01-01

    In this process impure uranium hexafluoride is contacted with a metallic fluoride chosen in the group containing lead fluoride PbF 2 , uranium fluorides UFsub(4+x) (0 3 at a temperature such as plutonium and/or neptunium are reduced and pure uranium hexafluoride is recovered. Application is made to uranium hexafluoride purification in spent fuel reprocessing [fr

  2. Fluoride ions vs removal technologies: A study

    OpenAIRE

    Singh, Jagvir; Singh, Prashant; Singh, Anuradha

    2016-01-01

    Literature reported that drinking water is a precious and scarce resource and it has to be protected and kept free from any kind of contamination. Further, it has to be used carefully without wasting. Literature also reported that fluoride bearing rocks are abundant in India, as a result, fluoride leaches out and contaminates the adjacent water and soil resources. A high concentration of fluoride ions in ground water increases up to more than 30 mg/L. This high concentration of fluoride ions ...

  3. Comparative study of adsorbents for the removal of fluoride ions from water use and consumption in Mexico

    International Nuclear Information System (INIS)

    Teutli S, E. A.

    2014-01-01

    Although fluoride is essential for health many studies have shown it is associated with some health problems, such as fluoro sis, thyroid disorder, neurological disease, Alzheimer, pineal gland and cancer. One of the major routes of exposure is through drinking water. The World Health Organization (Who) allows only 1.5 mg/L as a safe limit for fluoride ions in drinking water and the EPA U. S. Environmental Protection Agency has recently proposed 0.7 mg/L. In some cases, the water extracted from deep wells has concentrations of fluoride ions above 1.5 mg/L (NOM-127-SSA1-2000) which is the permissible limit of water for human use and consumption (whuc). In several countries, there are high concentrations of fluoride ions due to the geological distribution of fluorine-rich rocks. In our country we can find several states that have concentrations higher than 1.5 mg/L of fluoride ions in water, such as Aguascalientes, Zacatecas, Chihuahua, Coahuila, Durango, Guanajuato, Sonora, Jalisco and San Luis Potosi. Various technologies have been proposed to remove fluoride ions from water, such as adsorption, ion exchange, reverse osmosis, nano filtration, electrodialysis, dialysis and electrocoagulation. Sorption is superior to other techniques in terms of initial cost, simplicity of design and ease of operation. In this work systematic studies were done considering the aspects mentioned above, in order to determine the adsorbents properties and most suitable conditions for the removal of fluoride ions from whuc. It is important to note that to date no adsorption treatments for the removal of fluoride ions from water for human use and consumption in our country is done, although there are established methodologies, they have not been implemented because of their high costs. In this work an integral study was done on the removal of fluoride ions from water for human use and consumption. A comparative study of hematite, calcite and zeolite as adsorbents was performed to develop a

  4. Gramicidin D enhances the antibacterial activity of fluoride

    OpenAIRE

    Nelson, James W.; Zhou, Zhiyuan; Breaker, Ronald R.

    2014-01-01

    Fluoride is a toxic anion found in many natural environments. One of the major bacterial defenses against fluoride is the cell envelope, which limits passage of the membrane-impermeant fluoride anion. Accordingly, compounds that enhance the permeability of bacterial membranes to fluoride should also enhance fluoride toxicity. In this study, we demonstrate that the pore-forming antibiotic gramicidin D increases fluoride uptake in B. subtilis and that the antibacterial activity of this compound...

  5. Urinary fluoride output in children following the use of a dual-fluoride varnish formulation

    Directory of Open Access Journals (Sweden)

    Kelly Polido Kaneshiro Olympio

    2009-06-01

    Full Text Available OBJECTIVE: This study evaluated the bioavailability of fluoride after topical application of a dual-fluoride varnish commercially available in Brazil, when compared to DuraphatTM. MATERIAL AND METHODS: The urinary fluoride output was evaluated in seven 5-year-old children after application of the fluoride varnishes, in two different phases. In the first phase (I, children received topical application of the fluoride varnish Duofluorid XII (2.92% fluorine, calcium fluoride + 2.71% fluorine, sodium fluoride, FGM TM. After 1-month interval (phase II, the same amount (0.2 mL of the fluoride varnish Duraphat (2.26% fluorine, sodium fluoride, ColgateTM was applied. Before each application all the volunteers brushed their teeth with placebo dentifrice for 7 days. Urinary collections were carried out 24 h prior up to 48 h after the applications. Fluoride intake from the diet was also estimated. Fluoride concentration in diet samples and urine was analyzed with the fluoride ion-specific electrode and a miniature calomel reference electrode coupled to a potentiometer. Data were tested by ANOVA and Tukey's post hoc test (p<0.05. RESULTS: There were significant differences in the urinary fluoride output between phases I and II. The use of Duofluorid XII did not significantly increase the urinary fluoride output, when compared to baseline levels. The application of Duraphat caused a transitory increase in the urinary fluoride output, returning to baseline levels 48 h after its use. CONCLUSIONS: The tested varnish formulation, which has been shown to be effective in in vitro studies, also can be considered safe.

  6. Fluoride barriers in Nb/Pb Josephson junctions

    Science.gov (United States)

    Asano, H.; Tanabe, K.; Michikami, O.; Igarashi, M.; Beasley, M. R.

    1985-03-01

    Josephson tunnel junctions are fabricated using a new class of artificial barriers, metal fluorides (Al fluoride and Zr fluoride). These fluoride barriers are deposited on the surface of a Nb base electrode, which are previously cleaned using a CF4 cleaning process, and covered by a Pb counterelectrode. The junctions with both Al fluoride and Zr fluoride barriers exhibit good tunneling characteristics and have low specific capacitance. In the case of Zr fluoride, it is observed that reasonable resistances are obtained even at thickness greater than 100 A. This phenomenon might be explained by tunneling via localized states in Zr fluoride.

  7. Fluoride absorption from the rat urinary bladder: a pH-dependent event

    International Nuclear Information System (INIS)

    Whitford, G.M.; Pashley, D.H.; Reynolds, K.E.

    1977-01-01

    Urinary bladder absorption of stable and radiofluoride was studied as a function of pH in anesthetized rats to further evaluate the influence of pH gradients on fluoride transport. Buffered pH values and stable fluoride concentrations ranged from 1.85 to 7.90 and from 0.012 to 8.81 mM, respectively. [ 14 C]inulin served as a marker for solute concentration changes due to water migration or dilution. The results indicate that bladder fluoride absorption is inversely related to pH over the 1.85 to 5.50 range. Mean, 15-min radiofluoride absorption values of 70 percent at pH 1.85, 37 percent at pH 3.95, and 5 percent at pH 5.50 were observed. These fractional absorption values were not significantly influenced by carrier fluoride concentration, the buffers used, or the presence of urine. Above pH 5.50, pH-independent absorption occurs to a slight extent. The results are consistent with a first-order absorptive process which occurs by the nonionic diffusion of hydrogen fluoride

  8. Modeling of hydrogen desorption from tungsten surface

    Energy Technology Data Exchange (ETDEWEB)

    Guterl, J., E-mail: jguterl@ucsd.edu [University of California, San Diego, La Jolla, CA 92093 (United States); Smirnov, R.D. [University of California, San Diego, La Jolla, CA 92093 (United States); Krasheninnikov, S.I. [University of California, San Diego, La Jolla, CA 92093 (United States); Nuclear Research National University MEPhI, Moscow 115409 (Russian Federation); Uberuaga, B.; Voter, A.F.; Perez, D. [Los Alamos National Laboratory, Los Alamos, NM 8754 (United States)

    2015-08-15

    Hydrogen retention in metallic plasma-facing components is among key-issues for future fusion devices. For tungsten, which has been chosen as divertor material in ITER, hydrogen desorption parameters experimentally measured for fusion-related conditions show large discrepancies. In this paper, we therefore investigate hydrogen recombination and desorption on tungsten surfaces using molecular dynamics simulations and accelerated molecular dynamics simulations to analyze adsorption states, diffusion, hydrogen recombination into molecules, and clustering of hydrogen on tungsten surfaces. The quality of tungsten hydrogen interatomic potential is discussed in the light of MD simulations results, showing that three body interactions in current interatomic potential do not allow to reproduce hydrogen molecular recombination and desorption. Effects of surface hydrogen clustering on hydrogen desorption are analyzed by introducing a kinetic model describing the competition between surface diffusion, clustering and recombination. Different desorption regimes are identified and reproduce some aspects of desorption regimes experimentally observed.

  9. The effect of fluoride on the scavenging of organophosphates by human butyrylcholinesterase in buffer solutions and human plasma

    International Nuclear Information System (INIS)

    Ashani, Yacov; Segev, Omri; Balan, Ayala

    2004-01-01

    Fluoride ion is a reversible inhibitor of human butyrylcholinesterase (HuBChE) that is a viable drug candidate against organophosphates (OPs) toxicity. Since large numbers of communities in many countries are occasionally exposed to relatively high amount of fluoride, its effect on the kinetics of inhibition of HuBChE by OPs was investigated. In saline phosphate, pH 7.4, fluoride in the lower millimolar range significantly slowed the inhibition of HuBChE by paraoxon, DFP, echothiophate, soman, sarin, and VX. The kinetics of the inhibition was found consistent with the formation of a reversible fluoride-HuBChE complex that is at least 25-fold less active towards phosphorylation or phosphonylation than the free enzyme. Heat inactivation experiments indicate that the binding of fluoride to HuBChE probably involves enhanced cross-domain interaction via hydrogen bonds formation that may decrease enzyme activity. In spite of distinct structural differences among the OP used, the dissociation constants of the fluoride-HuBChE reversible complex varied over a narrow range (K F , 0.31-0.70 mM); however, K F in human plasma increased to 2.75-3.40 mM. 19 F-NMR spectroscopy revealed that fluoride ion is complexed to plasma components, an observation that explains in part the apparent increase in K F . Results suggest that an estimate of the relative decrease in the rate of OPs sequestration in presence of fluoride can be obtained from the fraction of the free HuBChE (1 + [F]/K F ) -1 . Considering K F values in human plasma, it is concluded that the scavenging efficacy of OPs by HuBChE is not compromised by the normal concentration range of circulating fluoride ions

  10. Detection of hydrogen peroxide with graphyne

    Science.gov (United States)

    Majidi, R.; Karami, A. R.

    2013-12-01

    The effect of hydrogen peroxide on the electronic properties of graphyne has been investigated to explore the possibility of using graphyne based biosensor. We have used density functional theory to study the electronic properties of γ-graphyne in the presence of different number of hydrogen peroxide. The optimal adsorption position, orientation, and distance of hydrogen peroxide adsorbed on the graphyne sheet have been determined by calculating adsorption energy. It is found that γ-graphyne which is an intrinsic semiconductor becomes an n-type semiconductor due to the presence of hydrogen peroxide. The energy band gap of γ-graphyne is decreased by increasing the number of hydrogen peroxide. The results demonstrate that γ-graphyne is a promising candidate for biosensor application because of its electrical sensitivity to hydrogen peroxide.

  11. Site competition on metal surfaces: an electron spectroscopic study of sequential adsorption on W(110)

    International Nuclear Information System (INIS)

    Steinkilberg, M.; Menzel, D.

    1977-01-01

    Using UPS and XPS, the sequential adsorption of hydrogen + carbon monoxide, and of hydrogen + oxygen, on W(110) has been studied at room temperature. Adsorption of CO on a H-covered surface is rapid and leads to total displacement of hydrogen. The resulting CO layer however, is different from that formed on the clean surface under identical conditions, in that it consists of a higher percentage of virgin CO, while considerably more β-CO forms on the clean surface. Oxygen does not adsorb on a H-covered surface, nor displace hydrogen. It is concluded that hydrogen most probably occupies the same sites utilized by dissociative adsorption of CO and oxygen, while virgin CO can also occupy different sites; its adsorption can thus lead to interactional weakening of the H-surface bond. (Auth.)

  12. Adsorption properties of thermally sputtered calcein film

    Science.gov (United States)

    Kruglenko, I.; Burlachenko, J.; Kravchenko, S.; Savchenko, A.; Slabkovska, M.; Shirshov, Yu.

    2014-05-01

    High humidity environments are often found in such areas as biotechnology, food chemistry, plant physiology etc. The controlling of parameters of such ambiences is vitally important. Thermally deposited calcein films have extremely high adsorptivity at exposure to water vapor of high concentration. This feature makes calcein a promising material for humidity sensing applications. The aim of this work is to explain high sensitivity and selectivity of calcein film to high humidity. Quartz crystal microbalance sensor, AFM and ellipsometry were used for calcein film characterization and adsorption properties investigation. The proposed model takes into account both the molecular properties of calcein (the presence of several functional groups capable of forming hydrogen bonds, and their arrangement) and the features of structure of thermally deposited calcein film (film restructuring due to the switching of bonds "calcein-calcein" to "calcein-water" in the course of water adsorption).

  13. Hydrogen molecule on lithium adsorbed graphene: A DFT study

    International Nuclear Information System (INIS)

    Kaur, Gagandeep; Gupta, Shuchi; Gaganpreet; Dharamvir, Keya

    2016-01-01

    Electronic structure calculations for the adsorption of molecular hydrogen on lithium (Li) decorated and pristine graphene have been studied systematically using SIESTA code [1] within the framework of the first-principle DFT under the Perdew-Burke-Ernzerhof (PBE) form of the generalized gradient approximation (GGA)[2], including spin polarization. The energy of adsorption of hydrogen molecule on graphene is always enhanced by the presence of co-adsorbed lithium. The most efficient adsorption configuration is when H 2 is lying parallel to lithium adsorbed graphene which is in contrast to its adsorption on pristine graphene (PG) where it prefers perpendicular orientation.

  14. High Temperature Fluoride Salt Test Loop

    Energy Technology Data Exchange (ETDEWEB)

    Aaron, Adam M. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Cunningham, Richard Burns [Univ. of Tennessee, Knoxville, TN (United States); Fugate, David L. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Holcomb, David Eugene [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Kisner, Roger A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Peretz, Fred J. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Robb, Kevin R. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Wilson, Dane F. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Yoder, Jr, Graydon L. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2015-12-01

    Effective high-temperature thermal energy exchange and delivery at temperatures over 600°C has the potential of significant impact by reducing both the capital and operating cost of energy conversion and transport systems. It is one of the key technologies necessary for efficient hydrogen production and could potentially enhance efficiencies of high-temperature solar systems. Today, there are no standard commercially available high-performance heat transfer fluids above 600°C. High pressures associated with water and gaseous coolants (such as helium) at elevated temperatures impose limiting design conditions for the materials in most energy systems. Liquid salts offer high-temperature capabilities at low vapor pressures, good heat transport properties, and reasonable costs and are therefore leading candidate fluids for next-generation energy production. Liquid-fluoride-salt-cooled, graphite-moderated reactors, referred to as Fluoride Salt Reactors (FHRs), are specifically designed to exploit the excellent heat transfer properties of liquid fluoride salts while maximizing their thermal efficiency and minimizing cost. The FHR s outstanding heat transfer properties, combined with its fully passive safety, make this reactor the most technologically desirable nuclear power reactor class for next-generation energy production. Multiple FHR designs are presently being considered. These range from the Pebble Bed Advanced High Temperature Reactor (PB-AHTR) [1] design originally developed by UC-Berkeley to the Small Advanced High-Temperature Reactor (SmAHTR) and the large scale FHR both being developed at ORNL [2]. The value of high-temperature, molten-salt-cooled reactors is also recognized internationally, and Czechoslovakia, France, India, and China all have salt-cooled reactor development under way. The liquid salt experiment presently being developed uses the PB-AHTR as its focus. One core design of the PB-AHTR features multiple 20 cm diameter, 3.2 m long fuel channels

  15. FLUORIDE LEVELS IN COMMERCIALLY AVAILABLE RICE IN ...

    African Journals Online (AJOL)

    Preferred Customer

    2013-05-05

    May 5, 2013 ... Rice is one of the commonly consumed cereals for more than half of the ... also used as flour, for making rice wine, as ingredient for beer and liquor, ... Fluoride is a necessary element to human health, and a moderate amount of fluoride intake ... For Ethiopian red rice (ERR) Fogera was selected to collect.

  16. Biomonitoring Equivalents for interpretation of urinary fluoride.

    Science.gov (United States)

    Aylward, L L; Hays, S M; Vezina, A; Deveau, M; St-Amand, A; Nong, A

    2015-06-01

    Exposure to fluoride is widespread due to its natural occurrence in the environment and addition to drinking water and dental products for the prevention of dental caries. The potential health risks of excess fluoride exposure include aesthetically unacceptable dental fluorosis (tooth mottling) and increased skeletal fragility. Numerous organizations have conducted risk assessments and set guidance values to represent maximum recommended exposure levels as well as recommended adequate intake levels based on potential public health benefits of fluoride exposure. Biomonitoring Equivalents (BEs) are estimates of the average biomarker concentrations corresponding to such exposure guidance values. The literature on daily urinary fluoride excretion rates as a function of daily fluoride exposure was reviewed and BE values corresponding to the available US and Canadian exposure guidance values were derived for fluoride in urine. The derived BE values range from 1.1 to 2.1mg/L (1.2-2.5μg/g creatinine). Concentrations of fluoride in single urinary spot samples from individuals, even under exposure conditions consistent with the exposure guidance values, may vary from the predicted average concentrations by several-fold due to within- and across-individual variation in urinary flow and creatinine excretion rates and due to the rapid elimination kinetics of fluoride. Thus, the BE values are most appropriately applied to screen population central tendency estimates for biomarker concentrations rather than interpretation of individual spot sample concentrations. Copyright © 2015. Published by Elsevier Inc.

  17. Fluoride ions vs removal technologies: A study

    Directory of Open Access Journals (Sweden)

    Jagvir Singh

    2016-11-01

    Full Text Available Literature reported that drinking water is a precious and scarce resource and it has to be protected and kept free from any kind of contamination. Further, it has to be used carefully without wasting. Literature also reported that fluoride bearing rocks are abundant in India, as a result, fluoride leaches out and contaminates the adjacent water and soil resources. A high concentration of fluoride ions in ground water increases up to more than 30 mg/L. This high concentration of fluoride ions causes many harmful and dangerous effects on our datum. Fluoride ions in larger quantities i.e. 20–80 mg/day taken over a period of 10–20 years result in crippling and skeletal fluorosis, severely damaging the bone. In the present scenario, there is a continuously increasing worldwide concern for the development of fluoride treatment technologies. Possibilities of reducing the high fluorine content in groundwater are by defluorination process/dilution with the surface water which is a very simple technique but the addition of Ca2+ ions to a solution in contact with fluorite when experimented in distilled water caused an appreciable decrease in fluoride concentration. In this review article, we emphasized the relationship between high concentrations of fluoride ions and their compounds and their health impact.

  18. Active Edge Sites Engineering in Nickel Cobalt Selenide Solid Solutions for Highly Efficient Hydrogen Evolution

    KAUST Repository

    Xia, Chuan; Liang, Hanfeng; Zhu, Jiajie; Schwingenschlö gl, Udo; Alshareef, Husam N.

    2017-01-01

    free energy for atomic hydrogen adsorption in NiCoSe, identified by temperature-dependent conductivities and density functional theory calculations, the authors have achieved unprecedented fast hydrogen evolution kinetics, approaching that of Pt

  19. Pulsed hydrogen fluoride laser oscillator-amplifier experiments

    International Nuclear Information System (INIS)

    Schott, G.L.

    1975-01-01

    Pulsed HF chemical laser oscillator energies were scaled from millijoules to several kilojoules over the period 1970-1974, reaching approximately 10 J with SF 6 and transverse discharges, and using electron-beam initiation and elemental F 2 above 1000J. This demonstrated scalability to large energy with acceptable electrical efficiency is only one prerequisite for application of this gas laser in fusion; equally important matters are achievement of focusable, approximately 1 ns pulses, couplable to light-element targets, all from an affordable system. Exploratory MOPA experiments are reported which address control of HF laser beam focusability and pulse duration, using SF 6 -based experimental oscillator--amplifier sequences and Pockels' cell switching. Simultaneous multiline lasing with 2.6 less than or equal to lambda less than or equal to 3.1 μm and high specific gain and energy density are particularly important factors encountered with HF, where amplifier pumping and lasing occur in a substantially cw temporal relationship, even in less than 100 ns bursts. Time-resolved SF 6 --HI oscillator spectra contain 27 simultaneous lines from six vibrational bands. An apertured, SF 6 -hydrocarbon pin-discharge oscillator generates approximately 10 mJ of TEM 00 radiation, which is amplified to approximately 1 J in approximately 150 ns by a TEA amplifier and p []opagated tens of meters. A three-stage system coupling these elements through an approximately 1 ns electrooptic gate to a greater than 10 J, e-beam energized amplifier is under development. (auth)

  20. Reactivity of aminodeoxyalditols and derivatives in hydrogen fluoride

    DEFF Research Database (Denmark)

    Norrild, Jens Chr.

    to the corresponding 2,5-anhydrides were achieved. These compounds can be recognized as muscarine analogues or precursors. The general mechanism of the reactions was evaluated by 13C NMR spectroscopic studies of the acyloxonium ion intermediates.A series of 1-deoxy-1-trifluoroacetamido-hexitols was prepared...

  1. Reaction of hydroborate anions with liquid hydrogen fluoride

    International Nuclear Information System (INIS)

    Volkov, V.V.; Myakishev, K.G.

    1978-01-01

    The reaction of anhydrous liquid HF with salts of the decahydro-closodecarborate (2) ion B 10 H 10 2- at room temperature or a decreased temperature leads to the formation of complex mixtures of high-molecular boranes with yields of 88 to 92 %. This solid, yellow, nonvolatile product contains traces of B 10 H 14 and B 18 H 22 . The average molecular masses of the borane mixtures obtained are in the range of 438 - 992. The complex composition of the mixtures was confirmed by thin-layer chromatography on silica gel. The IR and NMR spectra of the products are presented. The possible mechanism of the reaction between HF and B 10 H 10 2- with the formation of higher boron hydrides is discussed. Salts of B 12 H 10 2- and B 10 Cl 10 2- do not react with HF; KBF 4 and CsB 9 H 14 are decomposed by HF with the formation of MBF 4

  2. Electrochemistry of acid-base reactions in anhydrous hydrogen fluoride

    International Nuclear Information System (INIS)

    Masson, J.P.; Devynck, J.; Tremillon, B.

    1975-01-01

    Electrochemical studies were made in following media: water-HF mixtures, anhydrous HF and KF solutions in HF, solutions of the SbF5 type in HF. The acidity level of these solutions was evaluated using the R(H) functions based on the strehlow hypotheses. From the pH measurement in anhydrous HF, it was possible to get acid-base titration curves and pH buffers. The behavior of quinones in anhydrous HF is presented [fr

  3. Arsenic and fluoride removal from groundwater by electrocoagulation using a continuous filter-press reactor.

    Science.gov (United States)

    Guzmán, Athziri; Nava, José L; Coreño, Oscar; Rodríguez, Israel; Gutiérrez, Silvia

    2016-02-01

    We investigated simultaneous arsenic and fluoride removal from ground water by electrocoagulation (EC) using aluminum as the sacrificial anode in a continuous filter-press reactor. The groundwater was collected at a depth of 320 m in the Bajío region in Guanajuato Mexico (arsenic 43 µg L(-1), fluoride 2.5 mg L(-1), sulfate 89.6 mg L(-1), phosphate 1.8 mg L(-1), hydrated silica 112.4 mg L(-1), hardness 9.8 mg L(-1), alkalinity 31.3 mg L(-1), pH 7.6 and conductivity 993 µS cm(-1)). EC was performed after arsenite was oxidized to arsenate by addition of 1 mg L(-1) hypochlorite. The EC tests revealed that at current densities of 4, 5 and 6 mA cm(-2) and flow velocities of 0.91 and 1.82 cm s(-1), arsenate was abated and residual fluoride concentration satisfies the WHO standard (CF < 1.5 mg L(-1)). Spectrometric analyses performed on aluminum flocs indicated that these are mainly composed of aluminum-silicates of calcium and magnesium. Arsenate removal by EC involves adsorption on aluminum flocs, while fluoride replaces a hydroxyl group from aluminum aggregates. The best EC was obtained at 4 mA cm(-2) and 1.82 cm s(-1) with electrolytic energy consumption of 0.34 KWh m(-3). Copyright © 2015 Elsevier Ltd. All rights reserved.

  4. Thermodynamic data for uranium fluorides

    Energy Technology Data Exchange (ETDEWEB)

    Leitnaker, J.M.

    1983-03-01

    Self-consistent thermodynamic data have been tabulated for uranium fluorides between UF/sub 4/ and UF/sub 6/, including UF/sub 4/ (solid and gas), U/sub 4/F/sub 17/ (solid), U/sub 2/F/sub 9/ (solid), UF/sub 5/ (solid and gas), U/sub 2/F/sub 10/ (gas), and UF/sub 6/ (solid, liquid, and gas). Included are thermal function - the heat capacity, enthalpy, and free energy function, heats of formation, and vaporization behavior.

  5. Niobium electrodeposition from molten fluorides

    International Nuclear Information System (INIS)

    Sartori, A.F.

    1987-01-01

    Niobium electrodeposition from molten alkali fluorides has been studied aiming the application of this technic to the processes of electrorefining and galvanotechnic of this metal. The effects of current density, temperature, niobium concentration in the bath, electrolysis time, substrate nature, ratio between anodic and cathodic areas, electrodes separation and the purity of anodes were investigated in relation to the cathodic current efficiency, electrorefining, electroplating and properties of the deposit and the electrolytic solution. The work also gives the results of the conctruction and operation of a pilot plant for refractory metals electrodeposition and shows the electrorefining and electroplating compared to those obtained at the laboratory scale. (author) [pt

  6. Measurement of fluoride in bone

    International Nuclear Information System (INIS)

    Mernagh, J.R.; Harrision, J.E.; Hancock, R.; McNeill, K.G.

    1977-01-01

    The fluorine concentration in bone biopsy samples was measured by neutron activation analysis. The fluorine content was expressed in terms of the calcium content. Samples were irradiated in a reactor to induce the 19 F(n,γ) 20 F and 48 Ca(n,γ) 49 Ca reactions and after rapid transport from the reactor the resulting activities were measured with a Ge(Li) detector. Reproducibility was better than 10% for the F/Ca ratio. The detection limit for F is 50 μg. This nondestructive technique will be used to assess the effect of fluoride therapy on bone metabolism of patients with idiopathic osteoporosis. (author)

  7. Processes of H{sub 2} adsorption on Fe(1 1 0) surface: A density functional theory study

    Energy Technology Data Exchange (ETDEWEB)

    Xie, Weiwei; Peng, Liang; Peng, Daoling [Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, School of Chemistry and Environment, South China Normal University, Guangzhou 510006 (China); Gu, Feng Long, E-mail: gu@scnu.edu.cn [Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, School of Chemistry and Environment, South China Normal University, Guangzhou 510006 (China); Liu, Jun [Material Design and Simulation Technology Co. Ltd., Room 1716, V-Faction, 10 Vanke, 2 Ring Road of North Section, Chengdu (China)

    2014-03-01

    Highlights: • The hydrogen coverages for H{sub 2} adsorption on Fe(1 1 0) surface ranging from 0.125 to 1.000 are prepared by using different surface supercells. • With the reduction of coverage, the average iron atomic energy is increased and the adsorption energy is decreased, leading to the system more stable; while coverage has little effect on the Fe(1 1 0) surface structure and the hydrogen adsorption process. • The most stable absorption site is found to be the on-top site. • DFT calculations show that it is a weak adsorption and the adsorption energy barriers under 4.4 kcal/mol. • The final state is H{sub 2} molecule dissociated into two hydrogen atoms interacting with surface iron atoms to form stable Fe-H bonds. - Abstract: Processes of H{sub 2} adsorption on Fe(1 1 0) surface have been studied by the density functional theory, properties such as surface structure, adsorption position, and adsorption energies are discussed as well. To investigate the atomic geometries and stability under different hydrogen coverages for this adsorption, the hydrogen coverages ranging from 0.125 to 1.000 are prepared by using different surface supercells. It is found that with the reduction of coverage, the average iron atomic energy and the adsorption energy are increased, leading to the system more stable; while coverage has little effect on the Fe(1 1 0) surface structure and the hydrogen adsorption process. The most stable absorption site is found to be the on-top site. Our calculations show that it is a weak adsorption and the adsorption energy barriers under 4.4 kcal/mol. The final state is H{sub 2} molecule dissociated into two hydrogen atoms and interacting with surface iron atoms to form stable Fe-H bonds.

  8. Determination of Fluoride in Different Toothpaste Formulations

    International Nuclear Information System (INIS)

    Kamau, N.G.; Njoroge, M.; Njau, M.

    1998-01-01

    Fluoride ion selective electrode was used to determine fluoride ion concentrations in seven brands of toothpaste. These were the only available formulations found in Kenya. The brands were classified into three groups-fluoridated, non fluoridated or not indicated. However, there was no independent indication of their quantitative composition. The analysed brands had fluoride content between 0.0033% and 0.096%. These values compared favourably with those obtained elsewhere. The calculated lowest limit of detection (LLD) was 0.01 ppmF- . The mean calibration curve gave a slope of of -50.0mV. which was not significantly different from the theoretical value of 5.88mV at 23 degrees celsius at 95% confidence level

  9. Inhibition of cellular oxidation by fluoride

    Energy Technology Data Exchange (ETDEWEB)

    Borei, H

    1945-01-01

    An attempt has been made to investigate the inhibition by fluoride of the oxidative processes which occur in the cell by way of the cytochrome oxidase-cytochrome system. Some chemical and physical properties of the fluoride ion are discussed, together with certain quantitative methods for the determination of fluoride. An exhaustive review of the literature concerning the effect of fluoride on enzymic processes has been compiled. The experiments have shown that the point of the attack by fluoride is to be found among the cytochromes. The inhibitory mechanism appears to be such that the haemoprotein is prevented from taking part in the preceding and succeeding links in the reaction chain. The blocking action leaves the prosthetic group of the haemoprotein completely unchanged. The experimental results indicate the formation of a fluorophosphoprotein complex, analogous to that found in the case of enolase. Magnesium may possibly play a part in this process.

  10. Gas separation by pressure swing adsorption

    International Nuclear Information System (INIS)

    Martin, J.R.; Gottzman, C.F.; Notaro, F.; Stewart, H.A.

    1986-01-01

    Over the past twenty years separation processes based upon pressure swing adsorption have replaced cryogenic processes in a number of selected applications such as air separation for production of moderate quantities of nitrogen and oxygen and recovery of hydrogen from refinery and chemical plant gases. Key events contributing to the emergence of PSA as an important process option have been the development of synthetic zeolite molecular sieves by Union Carbide Corporation in the USA and of carbon molecular sieves by Bergbau-Forschung in Germany. Today PSA processes enjoy significant commercial use producing oxygen from 0.1 Nm 3 /h for medical application to 1500 Nm 3 /h for steel mill use, for making nitrogen up to 1000 Nm 3 /h for inerting and in purifying hydrogen streams of up to 100,000 Nm 3 /h for refinery use. In this paper some of the principles of adsorptive separations are reviewed. The history of the technology is traced briefly with emphasis on key material, process and application events. The major commercial processes in the application of adsorption to bulk separation of air and hydrogen purification are reviewed in more detail with comparisons made to cryogenic alternatives in terms of specific characteristics, advantages and disadvantages where appropriate. Information on performance, reliability and comparative economics are discussed where available

  11. Microscale Enhancement of Heat and Mass Transfer for Hydrogen Energy Storage

    Energy Technology Data Exchange (ETDEWEB)

    Drost, Kevin [Oregon State Univ., Corvallis, OR (United States); Jovanovic, Goran [Oregon State Univ., Corvallis, OR (United States); Paul, Brian [Oregon State Univ., Corvallis, OR (United States)

    2015-09-30

    The document summarized the technical progress associated with OSU’s involvement in the Hydrogen Storage Engineering Center of Excellence. OSU focused on the development of microscale enhancement technologies for improving heat and mass transfer in automotive hydrogen storage systems. OSU’s key contributions included the development of an extremely compact microchannel combustion system for discharging hydrogen storage systems and a thermal management system for adsorption based hydrogen storage using microchannel cooling (the Modular Adsorption Tank Insert or MATI).

  12. Interfacial adsorption of insulin - Conformational changes and reversibility of adsorption

    NARCIS (Netherlands)

    Mollmann, SH; Jorgensen, L; Bukrinsky, JT; Elofsson, U; Norde, W; Frokjaer, S

    The adsorption of human insulin to Teflon particles was studied with respect to conformational changes and the reversibility of adsorption was examined by total internal reflection fluorescence (TIRF). Adsorption isotherms for the adsorption of human insulin indicated high affinity adsorption, even

  13. Adsorption of dodecylamine hydrochloride on graphene oxide in water

    Science.gov (United States)

    Chen, Peng; Li, Hongqiang; Song, Shaoxian; Weng, Xiaoqing; He, Dongsheng; Zhao, Yunliang

    Cationic surfactants in water are difficult to be degraded, leading to serious water pollution. In this work, graphene oxide (GO) was used as an adsorbent for removing Dodecylamine Hydrochloride (DACl), a representative cationic surfactant. X-ray diffraction (XRD), FT-IR spectroscopy and atomic force microscope (AFM) were used to characterize the prepared GO. The adsorption of DACl on GO have been investigated through measurements of adsorption capacity, zeta potential, FTIR, and X-ray photoelectron spectroscopy (XPS). The experimental results have shown that the adsorption kinetics could be described as a rate-limiting pseudo second-order process, and the adsorption isotherm agreed well with the Freundlich model. GO was a good adsorbent for DACl removal, compared with coal fly ash and powdered activated carbon. The adsorption process was endothermic, and could be attributed to electrostatic interaction and hydrogen bonding between DACl and GO.

  14. Structure-solubility relationships in fluoride-containing phosphate based bioactive glasses

    Science.gov (United States)

    Shaharyar, Yaqoot

    The dissolution of fluoride-containing bioactive glasses critically affects their biomedical applications. Most commercial fluoride-releasing bioactive glasses have been designed in the soda-lime-silica system. However, their relatively slow chemical dissolution and the adverse effect of fluoride on their bioactivity are stimulating the study of novel biodegradable materials with higher bioactivity, such as biodegradable phosphate-based bioactive glasses, which can be a viable alternative for applications where a fast release of active ions is sought. In order to design new biomaterials with controlled degradability and high bioactivity, it is essential to understand the connection between chemical composition, molecular structure, and solubility in physiological fluids.Accordingly, in this work we have combined the strengths of various experimental techniques with Molecular Dynamics (MD) simulations, to elucidate the impact of fluoride ions on the structure and chemical dissolution of bioactive phosphate glasses in the system: 10Na2O - (45-x) CaO - 45P2O5 - xCaF2, where x varies between 0 -- 10 mol.%. NMR and MD data reveal that the medium-range atomic-scale structure of thse glasses is dominated by Q2 phosphate units followed by Q1 units, and the MD simulations further show that fluoride tends to associate with network modifier cations to form alkali/alkaline-earth rich ionic aggregates. On a macroscopic scale, we find that incorporating fluoride in phosphate glasses does not affect the rate of apatite formation on the glass surface in simulated body fluid (SBF). However, fluoride has a marked favorable impact on the glass dissolution in deionized water. Similarly, fluoride incorporation in the glasses results in significant weight gain due to adsorption of water (in the form of OH ions). These macroscopic trends are discussed on the basis of the F effect on the atomistic structure of the glasses, such as the F-induced phosphate network re-polymerization, in a

  15. Hydrogen sensor

    Science.gov (United States)

    Duan, Yixiang; Jia, Quanxi; Cao, Wenqing

    2010-11-23

    A hydrogen sensor for detecting/quantitating hydrogen and hydrogen isotopes includes a sampling line and a microplasma generator that excites hydrogen from a gas sample and produces light emission from excited hydrogen. A power supply provides power to the microplasma generator, and a spectrometer generates an emission spectrum from the light emission. A programmable computer is adapted for determining whether or not the gas sample includes hydrogen, and for quantitating the amount of hydrogen and/or hydrogen isotopes are present in the gas sample.

  16. Studies on the comparative effect of sodium fluoride on collagen ...

    African Journals Online (AJOL)

    Fluoride is an essential element for the normal development and growth of human beings. The main source of fluoride for humans is the intake of groundwater. At high levels, fluoride causes dental and skeletal fluorosis. In this study, control and sodium fluoride (NaF) treated groups of rats had significant (p < 0.05) higher ...

  17. Thermal Adsorption Processing Of Hydrocarbon Residues

    Directory of Open Access Journals (Sweden)

    Sudad H. Al.

    2017-04-01

    Full Text Available The raw materials of secondary catalytic processes must be pre-refined. Among these refining processes are the deasphalting and demetallization including their thermo adsorption or thermo-contact adsorption variety. In oil processing four main processes of thermo-adsorption refining of hydrocarbon residues are used ART Asphalt Residual Treating - residues deasphaltizing 3D Discriminatory Destructive Distillation developed in the US ACT Adsorption-Contact Treatment and ETCC Express Thermo-Contact Cracking developed in Russia. ART and ACT are processes with absorbers of lift type reactor while 3D and ETCC processes are with an adsorbing reactor having ultra-short contact time of the raw material with the adsorbent. In all these processes refining of hydrocarbon residues is achieved by partial Thermo-destructive transformations of hydrocarbons and hetero-atomic compounds with simultaneous adsorption of the formed on the surface of the adsorbents resins asphaltene and carboids as well as metal- sulphur - and nitro-organic compounds. Demetallized and deasphalted light and heavy gas oils or their mixtures are a quality raw material for secondary deepening refining processes catalytic and hydrogenation cracking etc. since they are characterized by low coking ability and low content of organometallic compounds that lead to irreversible deactivation of the catalysts of these deepening processes.

  18. Adsorption and catalytic properties of skeleton nickel alloyed by tantalum

    Energy Technology Data Exchange (ETDEWEB)

    Erzhanova, M S; Sokol' skii, D V; Popov, N I; Kondratenko, V I

    1977-02-01

    Adsorption properties are studied of Ni-Ta-catalysts composed of 20-50% Ni, 0-30% Ta, 50% Al with respect to hydrogen; their activity in a number of reactions has been tested. The adsorption capacity is characterized with respect to H/sub 2/ by the methods of thermodesorption and conductometry. It is shown that three forms to hydrogen (..beta.., ..gamma.., sigma) adsorb onto the surface of the alloyed catalysts, whose desorption peaks overlap because of their high mobility and interchangeability. Variation of activity, selectivity and isomerizing capacity of the catalysts correlates with the content of a weakly adsorbed mobile form of H/sub 2/.

  19. Evaluation of toxic action of fluorides on agricultural plants

    Directory of Open Access Journals (Sweden)

    V. N. Grishko

    2007-03-01

    Full Text Available The toxicity of potassium fluoride, sodium fluoride and ammonium fluoride for pea, maize, oat and onion was studied. It was found that the level of the toxic influence had grown with increase of fluoride concentration in the media of growth (from 5 to 100 mg of F–/l. By increase of the toxic influence the agricultural crops are disposed in the following row: oat < onion < maize < pea. Ammonium fluoride demonstrates lesser toxicity, than potassium and sodium fluorides. Under low concentrations of fluoride compounds (5 and 10 mg of F–/l stimulation of roots growth is noted only for the oat.

  20. Adsorption. What else?

    OpenAIRE

    Rodrigues, Alirio E.

    2012-01-01

    [EN] Chemical Engineering today combines Molecular and Materials Engineerig and Process and Product Engineering (ChE=M2P2). Cyclic adsorptive processes (Simulated Moving Bed –SMB and Pressure Swing Adsorption-PSA) will be discussed for “old” and “new” applications making use of “old” and “new” (MOFs) adsorbent materials. After revisiting my memory as PhD student and the First Brazilian Adsorption meeting I will review the basic concepts involved in adsorption processes and then...