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Sample records for coordinately unsaturated polynuclear

  1. Polynuclear complexes of copper(I) halides: coordination chemistry and catalytic transformations of alkynes

    International Nuclear Information System (INIS)

    Mykhalichko, B M; Mys'kiv, M G; Temkin, Oleg N

    2000-01-01

    Characteristic features of the coordination chemistry of Cu(I) and mechanisms of catalytic conversions of alkynes in the CuCl-MCl-H 2 O-HC≡CR system (MCl is alkali metal or ammonium chloride or amine hydrochloride; R=H, CH 2 OH, CH=CH 2 , etc.) are analysed based on studies of the compositions and structures of copper(I) chloride (bromide) complexes, alkyne π-complexes and ethynyl organometallic polynuclear compounds formed in this system in solutions and in the crystalline state. The role of polynuclear complexes in various reactions of alkynes is discussed. The bibliography includes 149 references.

  2. Enantiopure Chiral Coordination Polymers Based on Polynuclear Paddlewheel Helices and Arsenyl Tartrate

    Directory of Open Access Journals (Sweden)

    Ángela Valentín-Pérez

    2018-03-01

    Full Text Available Herein, we report the preparation of chiral, one-dimensional coordination polymers based on trinuclear paddlewheel helices [M3(dpa4]2+ (M = Co(II and Ni(II; dpa = the anion of 2,2′-dipyridylamine. Enantiomeric resolution of a racemic mixture of [M3(dpa4]2+ complexes was achieved by chiral recognition of the respective enantiomer by [Δ-As2(tartrate2]2− or [Λ-As2(tartrate2]2− in N,N-dimethylformamide (DMF, affording crystalline coordination polymers formed from [(Δ-Co3(dpa4(Λ-As2(tartrate2]·3DMF (Δ-1, [(Λ-Co3(dpa4(Δ-As2(tartrate2]·3DMF (Λ-1, [(Δ-Ni3(dpa4(Λ-As2(tartrate2]·(4 − nDMF∙nEt2O (Δ-2 or [(Λ-Ni3(dpa4(Δ-As2(tartrate2]·(4 − nDMF∙nEt2O (Λ-2 repeating units. UV-visible circular dichroism spectra of the complexes in DMF solutions demonstrate the efficient isolation of optically active species. The helicoidal [M3(dpa4]2+ units that were obtained display high stability towards racemization as shown by the absence of an evolution of the dichroic signals after several days at room temperature and only a small decrease of the signal after 3 h at 80 °C.

  3. Determination of polynuclear hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Lodge, Jr, J P

    1963-01-01

    At the present time, the method of choice for the determination of polynuclear hydrocarbons appears to be the following, (a) extraction of the benzene-soluble fraction from the gross collected particulate matter, (b) one pass through a chromatographic column of partially deactivated alumina, (c) spectral examination of the fractions and (d) the application of appropriate chemical tests as indicated by the previous step. Using this method, the presence of pyrene, fluoranthene, one of the benzofluorenes, chrysens, benz(a)anthracene, benzo(a)pyrene, benzo(e)pyrene, benzo(k)fluoranthene, anthanthrene, and coronene was demonstrated in the air of numerous American cities, and benzo(a)pyrene was measured at some 130 sites. Invaluable as such accurate determinations may be for research purposes, they are still too costly and time-consuming for routine survey purposes. While studies on the subject are by no means complete, they indicate the validity of piperonal chloride test as a general index of polycyclic hydrocarbons. This procedure is described in this paper. 7 references.

  4. A New Polynuclear Coordination Type for (Salicylaldoxime)copper(II) Complexes: Structure and Magnetic Properties of an (Oxime)Cu6 Cluster

    DEFF Research Database (Denmark)

    Wenzel, Marco; Forgan, Ross S.; Faure, Anaëlle

    2009-01-01

    A previously unseen coordination mode is reported for (salicylaldoxime)copper complexes utilising a linked zwitterionic NO22- donor set. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)...

  5. Polynuclear compounds of uranium: structure, reactivity and properties

    International Nuclear Information System (INIS)

    Mougel, V.

    2012-01-01

    The study and comprehension of actinide's fundamental chemistry have important implications both for the development of new nuclear fuel and for the nuclear fuel reprocessing. One of the major issues in these processes is the ease of uranium to undergo redox reactions and to form polynuclear assemblies, which largely perturb these processes. However, despite their relevance, only few synthetic routes towards polynuclear uranium assemblies are described in the literature, and most of the polynuclear complexes reported are formed by serendipity rather than by rational design. Moreover, polynuclear uranium compounds are highly promising for the design of magnetic materials with improved properties and for reactivity studies. The aim of this work is the synthesis of polynuclear uranium complexes and the study of their reactivity and coordination properties. New synthetic routes to uranium polynuclear assemblies were developed and the study of their physico-chemical properties was carried out. The first approach investigated was based on pentavalent uranyl chemistry. Uranyl(V) is known to form aggregates via an interaction between uranyl moieties often named cation-cation interaction, but the isolation of uranyl(V) complexes had been largely limited by its ease of disproportionation. We isolated the first stable uranyl(V) polynuclear assembly using Salen-type Schiff base ligand. Based on this result, a fine tuning of the ligand and counter-ion properties resulted in the isolation of a large family of uranyl(V) polynuclear assemblies and in a better understanding of the parameters ruling their stability. Moreover, rare examples of clear antiferromagnetic couplings were observed with these complexes. In addition, this synthetic path was used to build the first 5f-3d cluster presenting single molecule magnet properties. The second approach used in this thesis consisted in the synthesis of oxo/hydroxo uranium clusters. The controlled hydrolysis of trivalent uranium in

  6. Antiferromagnetic Coupling in the Polynuclear Compound [Cu(II) (Allopurinolate) (OH-)] n

    Science.gov (United States)

    Acevedo-Chávez, Rodolfo; Costas, María. Eugenia; Escudero-Derat, Roberto

    1994-11-01

    Synthetic, spectral, and magnetic studies of the Cu(II) polynuclear coordination compound [Cu(HL(OH-)]n with bridging OH- and HL (allopurinolate; C5H3N4O-) ligands are reported. The compound is obtained from aqueous media (at several pH values and from CI-, Br-, NO-3, SO2-4, ClO-4, and CH3CO-2 Cu(II) salts), from DMSO at ca. 70°C using several of the above salts, and under refluxing methanol employing Cu(SO4) or Cu(CH3CO2)2. The results suggest that the compound [Cu(HL)(OH-)]n has a polynuclear form in which the bridging allopurinolate is coordinated through the N(1) and N(2) atoms of the pyrazolic moiety. All attempts to grow crystals suitable for X-ray studies were unsuccessful, and an amorphous compound was always obtained. Magnetic studies show the existence of a strong antiferromagnetic coupling, which may be associated with a favorable structural arrangement between the metallic centers and the bridging ligands. This magnetic behavior is remarkable for a Cu(II) polynuclear coordination compound. Spectral and magnetic results together with the coordination modes of the bridging groups let us postulate as a possible arrangement a cyclic polynuclear structure presenting the allopurinolate and OH- bridging ligands in a mutually trans configuration. This work is the first EPR spectral and magnetic study reported for a coordination compound with the allopurinol heterocycle as a ligand and, thus for the first example of a polynuclear coordination compound combining allopurinolate and OH- as bridging groups.

  7. Carbonate formation within a nickel dimer: synthesis of a coordinatively unsaturated bis(mu-hydroxo) dinickel complex and its reactivity toward carbon dioxide.

    Science.gov (United States)

    Wikstrom, Jeffrey P; Filatov, Alexander S; Mikhalyova, Elena A; Shatruk, Michael; Foxman, Bruce M; Rybak-Akimova, Elena V

    2010-03-14

    The tridentate aminopyridine ligand bearing a bulky tert-butyl substituent at the amine nitrogen, tert-butyl-dipicolylamine (tBuDPA), occupies three coordination sites in six-coordinate complexes of nickel(ii), leaving the remaining three sites available for additional ligand binding and activation. New crystallographically characterized complexes include two mononuclear species with 1:1 metal:ligand complexation: a trihydrate solvate (1.3H(2)O) and a monohydrate biacetonitrile solvate (1.H(2)O.2CH(3)CN). Complexation in the presence of sodium hydroxide results in a bis(mu-hydroxo) complex (2), the bridging hydroxide anions of which are labile and become displaced by methoxide anions in methanol solvent, affording bis-methoxo-bridged (4). Nickel(II) centers in 2 are five-coordinate and antiferromagnetically coupled (with J = -31.4(5) cm(-1), H = -2JS(1)S(2), in agreement with Ni-O-Ni angle of 103.7 degrees). Bridging hydroxide or alkoxide anions in coordinatively unsaturated dinuclear nickel(II) complexes with tBuDPA react as active nucleophiles. 2 readily performs carbon dioxide fixation, resulting in the formation of a bis(mu-carbonato) tetrameric complex (3), which features a novel binding geometry in the form of an inverted butterfly-type nickel-carbonate core. Temperature-dependent magnetic measurements of tetranuclear carbonato-bridged revealed relatively weak antiferromagnetic coupling (J(1) = -3.1(2) cm(-1)) between the two nickel centers in the core of the cluster, as well as weak antiferromagnetic pairwise interactions (J(2) = J(3) = -4.54(5) cm(-1)) between central and terminal nickel ions.

  8. Crystal Structure and Magnetic Behavior of Two New Dinuclear Carbonato-Bridged Copper(II) Compounds. Superexchange Pathway for the Different Coordination Modes of the Carbonato Bridge in Polynuclear Copper(II) Compounds.

    Science.gov (United States)

    Escuer, Albert; Mautner, Franz A.; Peñalba, Evaristo; Vicente, Ramon

    1998-08-24

    Four new &mgr;-CO(3)(2-) copper(II) complexes with different coordination modes for the carbonato bridge have been obtained by fixation of atmospheric CO(2): {(&mgr;(3)-CO(3))[Cu(3)(ClO(4))(3)(Et(3)dien)(3)]}(ClO(4)) (1), Et(3)dien = N,N',N"-triethylbis(2-aminoethane)amine; {(&mgr;-CO(3))[Cu(2)(H(2)O)(Et(4)dien)(2)]}(ClO(4))(2).H(2)O (2), Et(4)dien = N,N,N",N"-tetraethyl-bis(2-aminoethane)amine; {(&mgr;-CO(3))[Cu(2)(H(2)O)(2)(EtMe(4)dien)(2)]} (ClO(4))(2).2H(2)O (3), EtMe(4)dien = N'-ethyl-N,N,N",N"-tetramethylbis(2-aminoethane)amine; and {(&mgr;-CO(3))[Cu(2)(H(2)O)(Me(5)dien)(2)]}(ClO(4))(2).H(2)O (4), Me(5)dien = N,N,N',N",N"-pentamethylbis(2-aminoethane)amine. The crystal structures have been solved for 2, monoclinic system, space group P2(1)/n, formula [C(25)H(62)Cl(2)Cu(2)N(6)O(13)] with a = 12.763(6) Å, b = 25.125(8) Å, c = 13.261(4) Å, beta = 111.85(3) degrees, Z = 4, and for 3, triclinic system, space group P&onemacr;, formula [C(21)H(58)Cl(2)Cu(2)N(6)O(15)] with a = 8.412(3) Å, b = 14.667(4) Å, c = 16.555(5) Å, alpha = 99.66(2) degrees, beta = 102.14(2) degrees, gamma = 104.72(2) degrees, Z = 2. Susceptibility measurements show ferromagnetic behavior (J = +6.7(6) cm(-)(1)) for the trinuclear compound 1 whereas 2-4 are antiferromagnetically coupled with J = -17.8(8), -125.5(9), and -21.2(3) cm(-)(1) respectively. Certain synthetic aspects that may be related to the nuclearity of the copper(II) &mgr;-CO(3)(2-) compounds and the superexchange pathway for the different coordination modes of the carbonato bridge are discussed.

  9. Application of isotopes to the assessment of pollutant behaviour in the unsaturated zone for groundwater protection. Final report of a coordinated research project 2004-2005

    International Nuclear Information System (INIS)

    2009-05-01

    A coordinated research project (CRP) was conducted by the IAEA with the purpose of studying what isotopic and other ancillary data are required to help understand migration of potential contaminants through the unsaturated zone (UZ) into the underlying groundwater. To this end, research projects were conducted in ten countries to study recharge and infiltration processes, as well as contaminant migration in a wide variety of UZ environments. This publication contains the reports of these ten projects and a summary of the accomplishments of the individual projects. The IAEA-TECDOC reviews the usefulness and current status of application of the combined use of isotope and other hydrogeochemical tools for the assessment of flow and transport processes in the UZ. A number of isotope and hydrochemical tools have been used to simultaneously study groundwater recharge and transport of pollutants in the UZ. This information is relevant for assessing the vulnerability of groundwater to contamination. The ten projects covered climates ranging from humid to arid, and water table depths from the near surface to over 600 m. The studies included measuring movement of water, solutes, and gases through the UZ using an assortment of isotope and geochemical tracers and approaches. Contaminant issues have been studied at most of the ten sites and the UZ was found to be very effective in protecting groundwater from most heavy metal contaminants. The publication is expected to be of interest to hydrologists, hydrogeologists and soil scientists dealing with pollution aspects and protection of groundwater resources, as well as counterparts of TC projects in Member States

  10. Magnetic Study of the Novel Polynuclear Compound [Cu(II)(6-Mercaptopurinolate 2-)] n

    Science.gov (United States)

    Acevedo-Chávez, Rodolfo; Costas, María. Eugenia; Escudero, Roberto

    1997-08-01

    Chemical reactions between Cu(II) and 6-mercaptopurine, both in aqueous and in methanolic media, yield the novel amorphous polynuclear compound [Cu(II)(6-mercaptopurinolate)2-]n, which is also obtained from diverse Cu(II)-heterocyclic ligand competitive reactions. The kinetic and thermodynamic stabilities associated with the formation of this compound are inferred as remarkable. The spectroscopic data let us suggest the involvement of the exocyclic S(6) donor site and the N atoms in the imidazolic moiety of the deprotonated heterocyclic ligand in the coordination to Cu(II) atoms, forming a distorted bidimensional metallic network. The magnetic studies show the existence of very weak antiferromagnetic coupling in the solid sample. This system represents the first example of a 1 : 1 metal : 6-mercaptopurinolate2-system with ad-type open shell metallic center. The magnetic study carried out also represents the first example of magnetic characterization for this type of polynuclear Cu(II) systems with the dianionic 6-mercaptopurine ligand.

  11. Source determination of polynuclear aromatic hydrocarbons in water ...

    African Journals Online (AJOL)

    SERVER

    2008-02-05

    Feb 5, 2008 ... transported into an aquatic environment by a number of pathways including fossil fuel distribution, storm water runoff and sewage effluent. Fossil ... formed during the incomplete combustion of coal, oil, gas wood and garbage (Neff, ..... Health impacts of polynuclear aromatic hydrocar- bons. Environmental ...

  12. Degradation of polynuclear aromatic hydrocarbons by two strains of Pseudomonas.

    Science.gov (United States)

    Nwinyi, Obinna C; Ajayi, Oluseyi O; Amund, Olukayode O

    2016-01-01

    The goal of this investigation was to isolate competent polynuclear aromatic hydrocarbons degraders that can utilize polynuclear aromatic hydrocarbons of former industrial sites at McDoel Switchyard in Bloomington, Indiana. Using conventional enrichment method based on soil slurry, we isolated, screened and purified two bacterial species strains PB1 and PB2. Applying the ribotyping technique using the 16S rRNA gene analysis, the strains were assigned to the genus Pseudomonas (Pseudomonas plecoglossicida strain PB1 and Pseudomonas sp. PB2). Both isolates showed promising metabolic capacity on pyrene sprayed MS agar plates during the preliminary investigations. Using time course studies in the liquid cultures at calculated concentrations 123, 64, 97 and 94ppm for naphthalene, chrysene, fluroanthene and pyrene, P. plecoglossicida strain PB1 and Pseudomonas sp. PB2 showed partial utilization of the polynuclear aromatic hydrocarbons. Naphthalene was degraded between 26% and 40%, chrysene 14% and 16%, fluroanthene 5% and 7%; pyrene 8% and 13% by P. plecoglossicida strain PB1 and Pseudomonas sp. PB2 respectively. Based on their growth profile, we developed a model R(2)=1 to predict the degradation rate of slow polynuclear aromatic hydrocarbon-degraders where all the necessary parameters are constant. From this investigation, we confirm that the former industrial site soil microbial communities may be explored for the biorestoration of the industrial site. Copyright © 2016. Published by Elsevier Editora Ltda.

  13. Synthesis and investigation of new heteronuclear [Zn-La] coordination compounds based on unsaturated lanthanum complex with N,N'-tetraethyl-N''-trichloacetylphosphortriamide

    International Nuclear Information System (INIS)

    Amyirkhanov, O.V.; Sliva, T.Yu.; Moroz, O.V.; Trush, Je.A.; Frits'kij, Yi.O.

    2011-01-01

    New heteronuclear [Zn-La] coordination compounds, perspective luminescent materials, with general formulas [Zn(Ve)La(X) 2 (Ac)] ({Zn-La;Ve;X}) and [Zn(Vp)La(X) 2 (Ac)] ({Zn-La;Vp;X}) have been synthesized HX=CCl 3 C(O)NHP(O)[N(C 2 H 5 ) 2 ] 2 - N,N'-tetraethyl-N''-trichloracetylphosphortriamide, H 2 Ve and H 2 Vp are products of the condensation of 1,2-diaminoethane and 1,3-diaminopropane with o-vanillin, respectively). The composition of [Zn-La] complexes has been determined, and the coordination mode of a phosphorylated ligand has been suggested by element analysis, IR- and 1 H, 31 P NMR-spectroscopy.

  14. Coordination behavior of bis-phenolate saturated and unsaturated N-heterocyclic carbene ligands to zirconium: reactivity and activity in the copolymerization of cyclohexene oxide with CO2.

    Science.gov (United States)

    Lalrempuia, Ralte; Breivik, Frida; Törnroos, Karl W; Le Roux, Erwan

    2017-06-27

    Tetravalent zirconium complexes supported by tridentate bis-phenolate imidazolidin-2-ylidene (L1), imidazol-2-ylidene (L2) and benzimidazol-2-ylidene (L3) NHC ligands were synthesized and evaluated as precursors for the copolymerization of cyclohexene oxide (CHO) with CO 2 . While the reactivity of the imidazolidinium [H 3 L1] chloride salt with Zr(OiPr) 4 (HOiPr), and subsequent ligand exchanges with either (CH 3 ) 3 SiCl or LiOiPr lead to a series of heteroleptic compounds (κ 3 -O,C,O-L1)Zr(X) 2 (THF) (X = Cl, OiPr), both imidazolium [H 3 L2] and benzimidazolium [H 3 L3] chloride salts give a mixture of homoleptic (κ 3 -O,C,O-NHC) 2 Zr and zwitterionic (κ 2 -O,O-HL)ZrCl 2 (OiPr) compounds along with traces or the absence of the heteroleptic intermediate (κ 3 -O,C,O-NHC)Zr(Cl)(OiPr)(THF). Such dissimilar reactivity between the unsaturated and saturated NHC ligands is predominantly ascribed to the increased acidity of azolium salts along with the π-donor strength of the C carbene in L2 and L3-Zr moieties. The reactivity with the more acidic azolium salts (H 3 L2/3) and the destabilized Zr-X trans to NHC carbene bond results in a significant increase in the amount of homoleptic compounds generating HCl. The released HCl reacts preferentially with the heteroleptic intermediates having non-planar NHC ligands (i.e. L2/3) promoting the formation of zwitterionic complexes. The in situ deprotonation of the isolated zwitterionic (κ 2 -O,O-HL3)ZrCl 2 (OiPr) compound by using Ag 2 O gives the homoleptic complex as the major component along with a bimetallic hydroxo-bridged [(κ 3 -O,C,O-L3)Zr(μ-OH)(OiPr)] 2 compound. Of particular interest is that only the heteroleptic NHC-Zr(iv) complexes were identified to be active and highly selective towards the copolymerization of CHO with CO 2 independently of the co-catalysts used (both anionic and neutral) under mild conditions (P CO 2 < 1 bar, T = 60 °C), and gave atactic and completely alternating copolymers in a

  15. Modeling the fate of polynuclear aromatic hydrocarbons in the rhizosphere

    International Nuclear Information System (INIS)

    Santharam, S.K.; Erickson, L.E.; Fan, L.T.

    1994-01-01

    Polynuclear aromatic hydrocarbons (PAHs) are major contaminants associated with wastes from manufactured gas plants, wood treating operations, and petroleum refining; they are potentially carcinogenic and mutagenic. It has been known that vegetation can enhance the rate and extent of degradation of PAHs in contaminated soil. Plant roots release exudates capable of supplying carbon and energy to microflora for degrading PAHs. It has also been well established that the population of microorganisms in the rhizosphere is significantly greater than that in the non-vegetated soil; these microorganisms are apparently responsible for the enhanced biodegradation of PAHs. A model has been derived for describing the rate of disappearance of a non-aqueous phase contaminant in the rhizosphere, which takes into account dissolution, adsorption, desorption and biodegradation of the contaminant, without neglecting the size distribution of the organic-phase droplets; the rate of biodegradation is expressed in terms of the Monod kinetics. The model is validated with the available experimental data for pyrene

  16. Analysis of polynuclear aromatic hydrocarbons from coal fly ash

    International Nuclear Information System (INIS)

    Purushothama, S.; Pan, W.-P.; Riley, J.T.; Lloyd, W.G.

    1998-01-01

    The objective of this work is to compare various extraction and quantification techniques for the determination of adsorbed polynuclear aromatic hydrocarbons (PAHs) on coal ash. Aliquots of a 'clean' fly ash from coal combustion doped with four PAHs have been extracted, using three solvents, three methods and three GC/MS programs. Factorial analysis shows solvent to extert the greatest primary effect: CH 2 Cl 2 > toluene much-gt o-xylene. Highest recoveries were obtained using the reflux slurry extraction procedure with CH 2 Cl 2 and a relatively fast (20 degree C/min) temperature ramp to 310 degree C. With both CH 2 Cl 2 and toluene solvents, ultrasonic assisted extraction affords the best repeatability

  17. X-ray excited optical luminescence of polynuclear aromatic hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Oestreich, G.J.

    1979-05-01

    X-ray excited optical luminescence (XEOL) coupled with time resolved spectroscopy was employed to analyze polynuclear aromatic hydrocarbons (PAH) in n-alkane solvents at 10 K. A pulsed XEOL system which was designed around minicomputer control of a medical x-ray unit was developed. Computer software which generated variable width x-ray pulses, monitored timing reference pulses, controlled data acquisition, and analyzed data was written. Phosphorescence decay constants of several PAHs were determined. Synthetic mixtures of zone refined PAHs were prepared and time resolved with the pulsed XEOL technique. Analytical results obtained from the five component mixtures of PAHs at the part per million level were tabulated. Systematic improvements and further development of the pulsed XEOL method were considered.

  18. Comparative study on catalytic behavior of polynuclear Mg-Mo-complex and FeMo-co-factor of nitrogenase in reactions with C2H2, N2 and CO

    International Nuclear Information System (INIS)

    Bardina, N.V.; Bazhenova, T.A.; Petrova, G.N.; Shilova, A.K.; Shilov, A.E.

    2006-01-01

    Catalytic reduction kinetics of C 2 H 2 in the presence of the Mg-Mo-cluster {[Mg 2 Mo 8 O 22 (MeO) 6 (MeOH) 4 ] 2- [Mg(MeOH) 6 ] 2+ }·6MeOH 1 is studied. Several interdependent coordinating centers are active in reference to substrates and inhibitors in the polynuclear Mg-Mo-complex, as in the reduced by europium amalgam (μ 6 -N)MoFe 7 S 9 ·homocitrate (FeMoco, 2). Comparison of regularities in reduction mechanism of C 2 H 2 , N 2 and CO with the participation of synthetic polynuclear complex 1 and natural cluster 2 is conducted. Regularities of the studied reactions in the systems involving natural catalytic cluster FeMoco and the synthetic Mg-Mo-complex modelling of its effect are noted to be similar. The main variations the systems show as regards to the reaction with molecular nitrogen [ru

  19. Engineered antibodies for monitoring of polynuclear aromatic hydrocarbons

    International Nuclear Information System (INIS)

    Karu, A.E.; Li, Q.X.; Roberts, V.A.

    1998-01-01

    'The long-term goal of this project is to develop antibodies and antibody-based methods for detection and recovery of polynuclear aromatic hydrocarbons (PAHs) and PAH adducts that are potential biomarkers in environmental and biological samples. The inherent cross-reactivity will be exploited by pattern recognition methods. Dr. Karu''s laboratory uses new haptens representing key PAHs to derive recombinant Fab (rFab) and single-chain Fv (scFv) antibodies from hybridoma lines and combinatorial phage display libraries. Computational models of the haptens and combining sites made by Dr. Roberts''s group are used to guide antibody engineering by mutagenesis. Dr. Li''s laboratory develops enzyme immunoassays (EIAs), sensors, and immunoaffinity methods that make use of the novel haptens and antibodies for practical analytical applications in support of DOE''s mission. This report summarizes work completed in one and one-half years of a 3-year project, with close collaboration between the three research groups. Dr. Alexander Karu''s laboratory: the authors proceeded with the two strategies described in the original proposal. Site-directed mutagenesis was used to correct differences in the rFab N-terminal amino acids that were introduced by the degenerate PCR primers used for gene amplification. The binding constants of the rFabs with the corrected sequences will be compared with those of the parent MAbs, and should be very similar. The 4D5 and 10C10 heavy and light chain sequences are being moved to the pCOMB3H phagemid vector to facilitate selection of new engineered mutants.'

  20. Modelling flow through unsaturated zones: Sensitivity to unsaturated ...

    Indian Academy of Sciences (India)

    M. Senthilkumar (Newgen Imaging) 1461 1996 Oct 15 13:05:22

    soil properties are studied by varying the unsaturated parameters α and n over a wide range. ... Keywords. Unsaturated zone; capillary fringe; finite element method. ... and radioactive wastes. Several .... The length (L) of the soil sample is 1 m.

  1. Infiltration in Unsaturated Soils

    DEFF Research Database (Denmark)

    Ghotbi, Abdoul R.; Omidvar, M.; Barari, Amin

    2011-01-01

    An approximate analytical solution has been established for the well known Richards’ equation for unsaturated flow of transports in soils. Despite the importance of Richards’ equation in geotechnical and geoenvironmental applications, most solutions to the problem are generally based on numerical...

  2. DEGRADATION OF POLYNUCLEAR AROMATIC HYDROCARBONS UNDER BENCH-SCALE COMPOST CONDITIONS

    Science.gov (United States)

    The relationship between biomass growth and degradation of polynuclear aromatic hydrocarbons (PAHs) in soil, and subsequent toxicity reduction, was evaluated in 10 in-vessel, bench-scale compost units. Field soil was aquired from the Reilly Tar and Chemical Company Superfund site...

  3. Destructive hydrogenation; dehydrogenation and dehydrogenation processes; purifying oils; polynuclear organic compounds

    Energy Technology Data Exchange (ETDEWEB)

    1934-02-08

    Unitary organic compounds containing four or more nuclei are recovered from the high boiling fractions of destructive hydrogenation products of bituminous, resinous, or ligneous materials. Cooling, precipitation, crystallization, selective dissolution and distillation are some of the techniques discussed. These techniques may also be applied to the recovery of polynuclear compounds.

  4. Polynuclear and one-dimensional cyanide-bridged heterobimetallic ...

    Indian Academy of Sciences (India)

    JINGWEN SHI

    2018-02-07

    Feb 7, 2018 ... complexes: synthesis, crystal structures and magnetic properties. JINGWEN ... Introduction. In the recent past decades, many effective strategies have ..... organization of single molecule magnets on surfaces. Chem. Soc. Rev. ... Spin Crossover Coordination Polymer Cryst. Growth. Des. 17 2736. 17. Kaneko ...

  5. Silver-tellurolate polynuclear complexes: from isolated cluster units to extended polymer chains

    International Nuclear Information System (INIS)

    Corrigan, J.F.; Fenske, D.; Power, W.P.

    1997-01-01

    In the presence of tertiary phosphanes, AgCl reacts readily with the reagent Te(Ph)SiMe 3 to yield silver - tellurolate polynuclear complexes. In the case of PMe 3 , the polymer [Ag 10 (μ 3 -TePh) 10 (PMe 3 ) 2 ] ∞ (shown below) is formed, in which the TePh ligands seve as both inter- and intracluster bridges. (orig.)

  6. Polynuclear Iron-Oxo/Hydroxy Complexes of Ketoacidoximate Ligands: Synthesis, Structures and Conversion to Ferric Oxide

    KAUST Repository

    Davaasuren, Bambar; Khanderi, Jayaprakash; Rothenberger, Alexander

    2017-01-01

    The polynuclear iron-oxo/hydroxy complexes containing ketoacidoximate ligands described in this report are [Fe3(μ3-O){O2C-C(C6H5)=NOCH3}6(py)3] (1) (py=pyridine), [Fe2(μ3-O){O2C-C(CH2-C6H5)=NO}2(H2O)(CH3OH)]2 (2) and [{Fe(μ2-OH)(O2C-C(CH3)=NO

  7. Metallacyclopentadienes: structural features and coordination in transition metal complexes

    International Nuclear Information System (INIS)

    Dolgushin, Fedor M; Yanovsky, Aleksandr I; Antipin, Mikhail Yu

    2004-01-01

    Results of structural studies of polynuclear transition metal complexes containing the metallacyclopentadiene fragment are overviewed. The structural features of the complexes in relation to the nature of the substituents in the organic moiety of the metallacycles, the nature of the transition metals and their ligand environment are analysed. The main structural characteristics corresponding to different modes of coordination of metallacyclopentadienes to one or two additional metal centres are revealed.

  8. Mono- and polynuclear Co(II) silanethiolates with aliphatic diamines

    Science.gov (United States)

    Pladzyk, Agnieszka; Baranowska, Katarzyna

    2014-01-01

    Four Co(II) complexes, [Co{SSi(OtBu)3}2(dmpda)] 1, [Co{SSi(OtBu)3}2(bda)2]n2 [Co{SSi(OtBu)3}2(pda)2]n3 and [Co{SSi(OtBu)3}2(hda)2]n4 [dmpda = 3-(dimethylamino)-1-propylamine; bda = 1.4-butanediamine; pda = 1.5-pentanediamine; had = 1.6-hexanediamine] have been synthesized and characterized using X-ray diffraction. Complex 1 is mononuclear and contains Co(II) coordinated by dmpda molecule in chelating mode, whereas compounds 3 and 4 are one-dimensional polymers with pda and hda diamines as bridges between the metallic centers respectively. In all complexes tri-tert-butoxysilanethiolate residue acts as terminal S-donor ligand. Full characterization of obtained compounds 1-4 was additionally carried out with the use of IR and UV-vis spectroscopy, elemental and thermal analysis.

  9. Quest for Highly-connected MOF Platforms: Rare-Earth Polynuclear Clusters Versatility Meets Net Topology Needs.

    KAUST Repository

    Alezi, Dalal

    2015-04-07

    Gaining control over the assembly of highly porous rare-earth (RE) based metal-organic frameworks (MOFs) remains challenging. Here we report the latest discoveries on our continuous quest for highly-connected nets. The topological exploration based on the non-compatibility of 12-connected RE polynuclear carboxylate-based cluster, points of extension matching the 12 vertices of the cuboctahedron (cuo), with 3-connected organic ligands led to the discovery of two fascinating and highly-connected minimal edge-transitive nets, pek and aea. The reduced symmetry of the employed triangular tricarboxylate ligand, as compared to the prototype highly symmetrical 1,3,5-benzene(tris)benzoic acid guided the concurrent occurrence of nonanuclear [RE9(μ3-OH)12(μ3-O)2(O2C–)12] and hexanuclear [RE6(OH)8(O2C–)8] carboxylate-based clusters as 12-connected and 8-connected molecular building blocks in the structure of a 3-periodic pek-MOF based on a novel (3,8,12)-c trinodal net. The use of a tricarboxylate ligand with modified angles between carboxylate moieties led to the formation of a second MOF containing solely nonanuclear clusters and exhibiting once more a novel and a highly-connected (3,12,12)-c trinodal net with aea topology. Notably, it is the first time that RE-MOFs with double six-membered ring (d6R) secondary building units are isolated, representing therefore a critical step forward toward the design of novel and highly coordinated materials using the supermolecular building layer approach while considering the d6Rs as building pillars. Lastly, the potential of these new MOFs for gas separation/storage was investigated by performing gas adsorption studies of various probe gas molecules over a wide range of pressures. Noticeably, pek-MOF-1 showed excellent volumetric CO2 and CH4 uptakes at high pressures.

  10. Hydrolysis of Zr(4) with formation of mono- and polynuclear hydroxocomplexes in solutions

    International Nuclear Information System (INIS)

    Davydov, Yu.P.; Zabrodskij, V.N.

    1987-01-01

    The state of Zr(4) has been studied in the wide range of H + -ions concentrations (10 -3 -3.0 mol/l) and in the wide range of Zr(4) concentrations (10 -13 -10 -12 mol/l) in the solution using a set of such physical-chemical methods as spectrophotometry, ion exchange, dialysis, centrifugation. The conditions of formation of hydrated cations, monochange, dialysis, centrifugation. The conditions of formation of hydrated cations, mono- and polynuclear hydrocomplexes, colloidal-size particles have been determined. The thermodynamic stability of ZrOH 3+ and Zr(OH) 2 2+ complexes has been determined by the ion exchange and spectrophotometry methods

  11. Prediction of the Iron-Based Polynuclear Magnetic Superhalogens with Pseudohalogen CN as Ligands.

    Science.gov (United States)

    Ding, Li-Ping; Shao, Peng; Lu, Cheng; Zhang, Fang-Hui; Liu, Yun; Mu, Qiang

    2017-07-17

    To explore stable polynuclear magnetic superhalogens, we perform an unbiased structure search for polynuclear iron-based systems based on pseudohalogen ligand CN using the CALYPSO method in conjunction with density functional theory. The superhalogen properties, magnetic properties, and thermodynamic stabilities of neutral and anionic Fe 2 (CN) 5 and Fe 3 (CN) 7 clusters are investigated. The results show that both of the clusters have superhalogen properties due to their electron affinities (EAs) and that vertical detachment energies (VDEs) are significantly larger than those of the chlorine element and their ligand CN. The distribution of the extra electron analysis indicates that the extra electron is aggregated mainly into pseudohalogen ligand CN units in Fe 2 (CN) 5 ¯ and Fe 3 (CN) 7 ¯ cluster. These features contribute significantly to their high EA and VDE. Besides superhalogen properties, these two anionic clusters carry a large magnetic moment just like the Fe 2 F 5 ¯ cluster. Additionally, the thermodynamic stabilities are also discussed by calculating the energy required to fragment the cluster into various smaller stable clusters. It is found that Fe(CN) 2 is the most favorable fragmentation product for anionic Fe 2 (CN) 5 ¯ and Fe 3 (CN) 7 ¯ clusters, and both of the anions are less stable against ejection of Fe atoms than Fe(CN) n-x .

  12. Biodepuration of polynuclear aromatic hydrocarbons from a bivalve mollusc, Mercenaria mercenaria L

    International Nuclear Information System (INIS)

    Tanacredl, J.T.; Cardenas, R.R.

    1991-01-01

    Mercenaria mercenaria, exposed in vitro for 48 h to nine parent polynuclear aromatic hydrocarbons (PAHs) found in waste crankcase oil (WCCO) and analyzed by multiparametric analysis over a 45-day depuration period in an activated carbon filtration aquaria system, did not depurate PAHs, but rather maintained them at detectable levels. Uptake of PAHs was shown to be directly related to clam weight. A cluster analysis of empirical results reaffirmed a biostabilization in PAH groupings in clam tissue over a 45-day depuration period and exhibited no evidence of a decreasing trend in total PAHs when subjected to ANOVA. Due to the commercial importance of hard-shell clams, the practices of clam depuration and clam relaying are reviewed in light of potential long-terms public health exposures to low-level xenobiotics and the implications for human consumers

  13. The persistence of polynuclear aromatic hydrocarbons in sewage sludge-amended agricultural soils

    International Nuclear Information System (INIS)

    Wild, S.R.; Jones, K.C.; Berrow, M.L.

    1992-01-01

    In 1968 five metal enriched sewage sludges containing different concentrations of polynuclear aromatic hydrocarbons (PAHs) were applied to different plots on field soils at two experimental sites, Luddington and Lee Valley in the UK. This resulted in substantial increases in soil ΣPAH concentrations in all plots. Since application compound specific losses have occurred, with the high molecular weight PAHs being more persistent. Calculated half-lives range from under 2 years for naphthalene to over 9 years for benzo[ghi]perylene and coronene. The loss of PAH compounds in these field experiments can be related, in part, to certain physico-chemical properties, namely water solubility and the octanol:water partition coefficients. 20 refs., 3 figs., 1 tab

  14. Polynuclear Hydroxido-Bridged Complexes of Platinum(IV) with Terminal Nitrato Ligands.

    Science.gov (United States)

    Vasilchenko, Danila; Berdugin, Semen; Tkachev, Sergey; Baidina, Iraida; Romanenko, Galina; Gerasko, Olga; Korenev, Sergey

    2015-05-18

    For the first time the polynuclear hydroxido-bridged platinum(IV) nitrato complexes with nuclearity higher than two were isolated from nitric acid solutions of [Pt(H2O)2(OH)4] and crystallized as supramolecular compounds of macrocyclic cavitands cucurbit[n]uril (CB[n], n = 6,8) and 18-crown-6 ether: [Pt4(μ3-OH)2(μ2-OH)4(NO3)10]·CB[6]·25H2O (I), [Pt6(μ3-OH)4(μ2-OH)6(NO3)12](NO3)2·CB[8]·50H2O (II), and [H3O⊂18-crown-6]2[Pt2(μ2-OH)2(NO3)8][Pt4(μ3-OH)2(μ2-OH)4(NO3)10] (III). The isolation of the compounds in the single crystalline state allows the determination of the structure of the tetranuclear and hexanuclear complexes [Pt4(μ3-OH)2(μ2-OH)4(NO3)10] and [Pt6(μ3-OH)4(μ2-OH)6(NO3)12](2+), which have been previously unknown in the solid state. Stability of Ptx(OH)y cores of the polynuclear nitrato complexes toward alkaline hydrolysis was verified by (195)Pt NMR spectroscopy. Analysis of (195)Pt NMR spectra of the compound III reveals that addition of every Pt(μ-OH)2Pt ring results in ∼260 ppm downfield shift relative to the mononuclear form, which allows the prediction of signal positions for complexes of higher nuclearity.

  15. Coordinatively unsaturated ruthenium complexes as efficient alkyneazide cycloaddition catalysts

    KAUST Repository

    Lamberti, Marina; Fortman, George C.; Poater, Albert; Broggi, Julie; Slawin, Alexandra M. Z.; Cavallo, Luigi; Nolan, Steven P.

    2012-01-01

    The performance of 16-electron ruthenium complexes with the general formula Cp*Ru(L)X (in which L = phosphine or N-heterocyclic carbene ligand; X = Cl or OCH2CF3) was explored in azidealkyne cycloaddition reactions that afford the 1,2,3- triazole products. The scope of the Cp*Ru(PiPr 3)Cl precatalyst was investigated for terminal alkynes leading to new 1,5-disubstituted 1,2,3-triazoles in high yields. Mechanistic studies were conducted and revealed a number of proposed intermediates. Cp*Ru- (PiPr3)(2-HCCPh)Cl was observed and characterized by 1H, 13C, and 31P NMR at temperatures between 273 and 213 K. A rare example of N,N-κ2-phosphazide complex, Cp*Ru(κ2- iPr3PN3Bn)Cl, was fully characterized, and a single-crystal X-ray diffraction structure was obtained. DFT calculations describe a complete map of the catalytic reactivity with phenylacetylene and/or benzylazide. © 2012 American Chemical Society.

  16. Coordinatively unsaturated ruthenium complexes as efficient alkyneazide cycloaddition catalysts

    KAUST Repository

    Lamberti, Marina

    2012-01-23

    The performance of 16-electron ruthenium complexes with the general formula Cp*Ru(L)X (in which L = phosphine or N-heterocyclic carbene ligand; X = Cl or OCH2CF3) was explored in azidealkyne cycloaddition reactions that afford the 1,2,3- triazole products. The scope of the Cp*Ru(PiPr 3)Cl precatalyst was investigated for terminal alkynes leading to new 1,5-disubstituted 1,2,3-triazoles in high yields. Mechanistic studies were conducted and revealed a number of proposed intermediates. Cp*Ru- (PiPr3)(2-HCCPh)Cl was observed and characterized by 1H, 13C, and 31P NMR at temperatures between 273 and 213 K. A rare example of N,N-κ2-phosphazide complex, Cp*Ru(κ2- iPr3PN3Bn)Cl, was fully characterized, and a single-crystal X-ray diffraction structure was obtained. DFT calculations describe a complete map of the catalytic reactivity with phenylacetylene and/or benzylazide. © 2012 American Chemical Society.

  17. Moessbauer spectroscopy and nuclear inelastic scattering studies on polynuclear oxo-bridged iron catalyst-first results

    International Nuclear Information System (INIS)

    Rajagopalan, S.; Asthalter, T.; Rabe, V.; Buerck, U. van; Wagner, F. E.; Laschat, S.

    2008-01-01

    Polynuclear iron catalysts are interesting materials because of their novel properties. In the future they may help to replace high cost and hazardous heavy metal catalysts by efficient, non toxic and economic iron compounds. In this work, we present some preliminary results on a novel polynuclear oxo-bridged iron catalyst. The chemical environment of the metal species (Fe) was studied under Gif-type conditions (Fe catalyst/Zn/O 2 in pyridine/acetic acid) with cyclohexene as substrate. Such Gif-type catalysts are able to catalyse the selective oxidation of alkanes and alkenes. The characterization was done by Moessbauer spectroscopy and nuclear inelastic scattering. In order to identify the intermediate species during the reaction (selective oxidation using molecular O 2 ), a freeze-quench technique was used. This also helps to understand the kinetics of the chemical reaction.

  18. Sample enrichment for gas chromatographic mass spectrometric analysis of polynuclear aromatic hydrocarbons in water and in organic mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Bruner, F.; Furlani, G.; Mangani, F.

    1984-10-19

    Among the extraction and preconcentration steps used for polynuclear aromatic hydrocarbons, Soxhlet extraction is largely used for atmospheric dust or other solid material, while liquid-liquid extraction is the method which has been suggested for extraction from water. The use of graphitized carbon black for liquid-solid extraction and preconcentration from water was explored. The properties of different kinds of graphitized carbon black as traps for the extraction and preconcentration of polynuclear aromatic hydrocarbons from water and mineral oil were determined. The best results were obtained with Carbopack F, eluted with toluene at 100 C. Graphitized carbon black is preferred because of its thermal and chemical stability and its high purity, exhibiting no bleeding and possessing high sensitivity. 9 references, 2 figures, 2 tables.

  19. Measurement of polynuclear aromatic hydrocarbon concentrations in the plume of Kuwait oil well fires

    International Nuclear Information System (INIS)

    Olsen, K.B.; Wright, C.W.; Veverka, C.; Ball, J.C.; Stevens, R.

    1995-03-01

    Following their retreat from Kuwait during February and March of 1991, the Iraqi Army set fire to over 500 oil wells dispersed throughout the Kuwait oil fields. During the period of sampling from July to August 1991, it was estimated that between 3.29 x 10 6 barrels per day of crude oil were combusted. The resulting fires produced several plumes of black and white smoke that coalesced to form a composite ''super'' plume. Because these fires were uncontrolled, significant quantities of organic materials were dispersed into the atmosphere and drifted throughout the Middle East. The organic particulants associated with the plume of the oil well fires had a potential to be rich in polynuclear aromatic hydrocarbon (PAH) compounds. Based on the extreme mutagenic and carcinogenic activities of PAHs found in laboratory testing, a serious health threat to the population of that region potentially existed. Furthermore, the Kuwait oil fire plumes represented a unique opportunity to study the atmospheric chemistry associated with PAHs in the plume. If samples were collected near the plume source and from the plume many kilometers downwind from the source, comparisons could be made to better understand atmospheric reactions associated with particle-bound and gas-phase PAHs. To help answer health-related concerns and to better understand the fate and transport of PAHs in an atmospheric environment, a sampling and analysis program was developed

  20. Studies estimating the dermal bioavailability of polynuclear aromatic hydrocarbons from manufactured plant tar-contaminated soils

    International Nuclear Information System (INIS)

    Roy, T.A.; Krueger, A.J.; Taylor, B.B.; Mauro, D.M.; Goldstein, L.S.

    1998-01-01

    In vitro percutaneous absorption studies were performed with contaminated soils or organic extracts of contaminated soils collected at manufactured gas plant (MGP) sites. The MGP tar contaminated soils were found to contain a group of targeted polynuclear aromatic hydrocarbons (PAH) at levels ranging from 10 to 2400 mg/kg. The soil extracts contained target PAH at levels ranging from 12 000 - 34 000 mg/kg. Dermal penetration rates of target PAH from the MGP tar-contaminated soils/soil extracts were determined experimentally through human skin using 3 H-benzo(a)pyrene (BaP) as a surrogate. Results from three MGP sites showed reductions of 2-3 orders of magnitude in PAH absorption through human skin from the most contaminated soils in comparison to the soil extracts. Reduction in PAH penetration can be attributed to PAH concentration and (soil) matrix properties. PAH dermal flux values are used to determine site-specific dermally absorbed dose (DAD) and chronic daily intake (CDI) which are essential terms required to estimate risk associated with human exposure to MGP tar and MGP tar-contaminated soils. 21 refs., 4 figs., 3 tabs

  1. Gas-phase polynuclear aromatic hydrocarbons (PAH) in vehicle exhaust: A method for collection and analysis

    International Nuclear Information System (INIS)

    Seigl, W.O.; Chladek, E.

    1990-01-01

    Gas-phase polynuclear aromatic hydrocarbons (PAH) are emitted at low levels in vehicle exhaust compared to other hydrocarbon emissions. A method has been developed involving the trapping of gas phase emissions on Tenax, a macrorecticular porous polymer, followed by thermal desorption onto a capillary gas chromatography column. Gas chromatography/mass spectrometry (GC/MS) was used for the chemical analysis. A detection limit of 0.05 ng was achieved for several gas-phase PAH. This high sensitivity enables the speciation and quantitation of gas-phase PAH collected from a dilution tube during standard driving (test) cycles. The method was demonstrated for the analysis of 9 PAH in the exhaust from a 1987 vehicle (with and without catalyst) during the hot start transient phase of the EPA urban dynamometer driving schedule. The PAH measured include naphthalene, 2-methyl- and 1-methylnaphthalene, biphenyl, fluorene, phenanthrene, anthracene, fluoranthene and pyrene. The four most abundant PAH observed are naphthalene, 2-methyl and 1-methylnaphthalene, and biphenyl, in that order

  2. Oyster polynuclear aromatic hydrocarbon fingerprinting applied to the Apex barge oil spill

    International Nuclear Information System (INIS)

    Wade, T.L.; Jackson, T.J.; McDonald, T.J.; Sericano, J.L.; Brooks, J.M.

    1993-01-01

    An estimated 692,000 gallons of catalytic feed stock oil was spilled into Galveston Bay on July 28, 1990, when a tanker collided with three Apex barges in the Houston Ship Channel. Oysters were collected and analyzed from Galveston Bay Todd's Dump (GBRD) before the spill and after the spill. Oysters were also collected from Galveston Bay Redfish Island (GBRI), a site known to be impacted by the spill, 37 and 110 days after the spill. The spilled oil was also analyzed. The concentration of 18 polynuclear aromatic hydrocarbons (PAH) measured as part of the National Oceanic and Atmospheric Administration's National Status ampersand Trends (NS ampersand T) showed a sharp increase from 100 ng/g to over 600 ng/g. Concentrations of these 18 PAHs were also found at GBRI. Fingerprinting techniques applied to data from oyster analyses demonstrated the presence of bioavailable Apex Barge oil 37, 110, and 132 days after the spill at GHTD and GBRI. Fingerprinting becomes less diagnostic with time due to possible environmental weathering of the oil. The fingerprint from GBTD 495 and 851 days after the spill will be presented and discussed

  3. Degradation of phenolics, nitrogen-heterocyclics and polynuclear aromatic hydrocarbons in a rotating biological contactor.

    Science.gov (United States)

    Jeswani, Hansa; Mukherji, Suparna

    2012-05-01

    The degradation of phenolics, heterocyclics and polynuclear aromatic hydrocarbons (PAHs) in a synthetic biomass gasifier wastewater with average COD of 1388 mg/L was studied in a three stage rotating biological contactor (RBC) using the pyrene degrader, Exiguobacterium aurantiacum and activated sludge consortia (1:3 v/v). As the organic loading rate (OLR) was varied from 3.3 to 14 g/m(2)/d, the COD removal ranged from 63.3% to 92.6%. Complete removal of all the constituents was observed at the lowest OLR of 3.3g/m(2)/d. At 24h hydraulic retention time (HRT) and OLR of 6.6g/m(2)/d complete removal of pyridine, quinoline and benzene and 85-96% removal of phenol, naphthalene, phenanthrene, fluoranthene and pyrene was observed. E. aurantiacum was found to be the dominant bacteria in the biofilm. Clark's model provided good fits to data for all the three stages of the RBC. Copyright © 2012 Elsevier Ltd. All rights reserved.

  4. Photochemical activation and reactivity of polynuclear transition metal complex molecules. Final report

    International Nuclear Information System (INIS)

    Endicott, J.F.; Lintvedt, R.L.

    1982-06-01

    Several bi- and trinuclear metal complexes containing ligands from β-polyketonates have been synthesized and characterized including homo- and hetero-polynuclear complexes. New synthetic approaches to the preparation of heterobi- and trinuclear complexes have been developed that allow the preparation of a large number of molecules containing heavy-metal ions such as Pd 2+ or UO 2 2+ and a first-row transition-metal ion. The electrochemical properties of these complexes have been investigated and many exhibit the ability to transfer two electrons at very nearly the same potential. Photochemical studies on binuclear Cu(II) and Ni(II) showed that these compounds yielded reduced metal species and decomposition upon irradiation. Luminescence of hetero-complexes of uranyl polyketonates is observed at 77 0 K with the UO 2 2+ moiety functioning as an isolated chromophore in which emission is observed only on direct excitation of UO 2 2+ and energy transfer to lower states in the molecule is not observed

  5. Polynuclear aromatic hydrocarbons (PAHs) mediate cadmium toxicity to an emergent wetland species

    International Nuclear Information System (INIS)

    Zhang, Zhenhua; Rengel, Zed; Meney, Kathy; Pantelic, Ljiljana; Tomanovic, Radmila

    2011-01-01

    Growth and pollutant removal by emergent wetland plants may be influenced by interactions among mixed pollutants in constructed wetlands. A glasshouse experiment was conducted to investigate interactive effects of cadmium (Cd) x polynuclear aromatic hydrocarbons (PAHs) x plant treatments on growth of Juncus subsecundus, Cd and PAH removal from soil and the total number of microorganisms in soil. Growth and biomass of J. subsecundus were significantly influenced by interaction of Cd and PAHs, significantly decreasing with either Cd or PAH additions, but with the effect of Cd on plant growth being stronger than that of PAHs. The mixture of low Cd and low PAH lessened Cd toxicity to plants, resulting in improved plant growth and increased Cd accumulation in plant tissues, thus enhancing Cd removal by plants. The dissipation of PAHs in soils was significantly influenced by interactions of Cd, PAH and plant presence or absence. The total number of microorganisms in soils was significantly increased by the PAH additions. The interactive effect of Cd and PAHs on plant growth may be linked to the changes in the abundance of microorganisms in the rhizosphere, probably via a positive effect of PAH metabolites and/or phytohormones produced by microorganisms on plant growth.

  6. Adsorption of polynuclear aromatic hydrocarbons from aqueous solution: Agrowaste-modified kaolinite vs surfactant modified bentonite

    Directory of Open Access Journals (Sweden)

    E. I. Unuabonah

    2017-01-01

    Full Text Available The adsorption efficiency of a new hybrid clay adsorbent for polynuclear aromatic hydrocarbons (PAHs is compared with known modified clay adsorbents. The new hybrid clay adsorbent (HYCA showed far higher adsorption capacities for the adsorption of various PAH molecules compared with sodium dodecyl sulfate modified and humic acid modified Bentonite clay adsorbents. With the new hybrid clay adsorbent (HYCA, the adsorption of some of the larger PAH molecules was complete in the first 1 h as compared with ≈ 62% and ≈ 76% observed for both humic acid modified and sodium dodecyl sulfate modified Bentonite clay adsorbents respectively. In 24 h adsorption of the PAHs was complete for all adsorbents with HYCA adsorbent showing better efficiency in the removal of the PAH molecules from aqueous solutions. No significant change was observed with increase in time up to 48 h. The adsorption was observed to be more spontaneous with HYCA adsorbent than with either modified Bentonite adsorbents. The enthalpy of adsorption did not follow any specific order and were not consistent for all PAH molecules considered.

  7. Polynuclear Iron-Oxo/Hydroxy Complexes of Ketoacidoximate Ligands: Synthesis, Structures and Conversion to Ferric Oxide

    KAUST Repository

    Davaasuren, Bambar

    2017-06-13

    The polynuclear iron-oxo/hydroxy complexes containing ketoacidoximate ligands described in this report are [Fe3(μ3-O){O2C-C(C6H5)=NOCH3}6(py)3] (1) (py=pyridine), [Fe2(μ3-O){O2C-C(CH2-C6H5)=NO}2(H2O)(CH3OH)]2 (2) and [{Fe(μ2-OH)(O2C-C(CH3)=NO)}(dmso)]6 (3) (dmso=dimethyl sulfoxide). 1–3 are isolated from the reaction of Fe(NO3)3⋅9H2O and in situ generated anions of ketoacidoximate ligand [(HO2C-C(R1)=NOR2), where R1=CH3, C6H5 and CH2-C6H5; R2=H or CH3] in H2O, followed by crystallization in donor solvents. 1–3 undergo thermal decomposition above 200 °C and form crystalline α-Fe2O3 at 600 °C.

  8. The use of polynuclear aromatic hydrocarbon (PAH) alkyl homologues in determining petroleum source identification and weathering

    International Nuclear Information System (INIS)

    Brown, J.S.; Boehm, P.D.; Sauer, T.C.; Wong, W.M.C.

    1993-01-01

    Techniques utilizing double ratio plots of selected polynuclear aromatic hydrocarbon (PAH) alkyl homologues were used to identify and distinguish crude oils and refined petroleum products from each other and to distinguish petroleum sources in complex pollutant regimes. Petroleum samples were fractionated by high performance liquid chromatography (HPLC) into saturated and aromatic (PAH) hydrocarbon fractions. The saturated hydrocarbon fractions were then analyzed by gas chromatography/flame ionization detection (GC/FID) to obtain a resolved/unresolved alkane fingerprint of each oil. The aromatic fractions of the oils were analyzed by gas chromatography/mass spectrometry (GC/MS) for PAH and selected alkyl homologues. Comparisons of the saturated hydrocarbon fingerprints indicated that some oils were indistinguishable based on the alkane fingerprint alone. Another double ratio plot of the alkyl chrysenes and alkyl dibenzothiophenes was effective in establishing the weathering of oil in environmental samples which were processed using the same analytical techniques, since the dibenzothiophenes are degraded more rapidly than the chrysenes. The application of selected ratios in oil spill source identification in complex environmental samples from Suisin Bay California and Boston Harbor are discussed. The use of ratios to measure the extent of weathering in oil spill samples from Prince William Sound and the Gulf of Alaska is examined

  9. Construction of Polynuclear Lanthanide (Ln = Dy(III), Tb(III), and Nd(III)) Cage Complexes Using Pyridine-Pyrazole-Based Ligands: Versatile Molecular Topologies and SMM Behavior.

    Science.gov (United States)

    Bala, Sukhen; Sen Bishwas, Mousumi; Pramanik, Bhaskar; Khanra, Sumit; Fromm, Katharina M; Poddar, Pankaj; Mondal, Raju

    2015-09-08

    Employment of two different pyridyl-pyrazolyl-based ligands afforded three octanuclear lanthanide(III) (Ln = Dy, Tb) cage compounds and one hexanuclear neodymium(III) coordination cage, exhibiting versatile molecular architectures including a butterfly core. Relatively less common semirigid pyridyl-pyrazolyl-based asymmetric ligand systems show an interesting trend of forming polynuclear lanthanide cage complexes with different coordination environments around the metal centers. It is noteworthy here that construction of lanthanide complex itself is a challenging task in a ligand system as soft N-donor rich as pyridyl-pyrazol. We report herein some lanthanide complexes using ligand containing only one or two O-donors compare to five N-coordinating sites. The resultant multinuclear lanthanide complexes show interesting magnetic and spectroscopic features originating from different spatial arrangements of the metal ions. Alternating current (ac) susceptibility measurements of the two dysprosium complexes display frequency- and temperature-dependent out-of-phase signals in zero and 0.5 T direct current field, a typical characteristic feature of single-molecule magnet (SMM) behavior, indicating different energy reversal barriers due to different molecular topologies. Another aspect of this work is the occurrence of the not-so-common SMM behavior of the terbium complex, further confirmed by ac susceptibility measurement.

  10. Development of a screening method for the determination of total polynuclear aromatic hydrocarbons (PAH) in water and wastewater

    International Nuclear Information System (INIS)

    Riggin, R.; Strup, P.; Billets, S.

    1983-01-01

    Polynuclear aromatic hydrocarbons (PAHs) represent an important class of organic compounds from an environmental standpoint, due to known human carcinogenicity of some members. Consequently, there is a great need for monitoring the PAH concentration of a variety of media, including water and industrial wastewater. Recently, the United States Environmental Protection Agency (U.S. EPA) developed a sensitive analytical method, designated Test Method 610, for the determination of priority pollutant PAHs in aqueous industrial discharges. This method employs reversed phase high performance liquid chromatography (HPLC) with ultraviolet (UV) and fluorescence detection to determine all sixteen priority pollutant PAHs in a single chromatographic separation

  11. Evaluating sensitivity of unsaturated soil properties

    International Nuclear Information System (INIS)

    Abdel-Rahman, R.O.; El-Kamash, A.M.; Nagy, M.E.; Khalill, M.Y.

    2005-01-01

    The assessment of near surface disposal performance relay on numerical models of groundwater flow and contaminant transport. These models use the unsaturated soil properties as input parameters, which are subject to uncertainty due to measurements errors and the spatial variability in the subsurface environment. To ascertain how much the output of the model will depend on the unsaturated soil properties the parametric sensitivity analysis is used. In this paper, a parametric sensitivity analysis of the Van Genuchten moisture retention characteristic (VGMRC) model will be presented and conducted to evaluate the relative importance of the unsaturated soil properties under different pressure head values that represent various dry and wet conditions. (author)

  12. The unsaturated bistable stochastic resonance system.

    Science.gov (United States)

    Zhao, Wenli; Wang, Juan; Wang, Linze

    2013-09-01

    We investigated the characteristics of the output saturation of the classical continuous bistable system (saturation bistable system) and its impact on stochastic resonance (SR). We further proposed a piecewise bistable SR system (unsaturated bistable system) and developed the expression of signal-to-noise ratio (SNR) using the adiabatic approximation theory. Compared with the saturation bistable system, the SNR is significantly improved in our unsaturated bistable SR system. The numerical simulation showed that the unsaturated bistable system performed better in extracting weak signals from strong background noise than the saturation bistable system.

  13. Unsaturated medium hydrocarbons pollution evaluation

    International Nuclear Information System (INIS)

    Di Luise, G.

    1991-01-01

    When the so called porous unsaturated medium, that's the vertical subsoil section between both the ground and water-table level, is interested by a hydrocarbons spill, the problem to evaluate the pollution becomes difficult: considering, essentially, the natural coexistence in it of two fluids, air and water, and the interactions between them. This paper reports that the problems tend to increase when a third fluid, the pollutant, immiscible with water, is introduced into the medium: a three-phases flow, which presents several analogies with the flow conditions present in an oil-reservoir, will be established. In such a situation, it would be very useful to handle the matter by the commonly used parameters in the oil reservoirs studies such as: residual saturation, relative permeability, phases mobility, to derive a first semiquantitative estimation of the pollution. The subsoil pollution form hydrocarbons agents is one of the worldwide more diffused causes of contamination: such events are generally referable to two main effects: accidental (oil pipeline breakdowns, e.g.), and continuous (underground tanks breaks, industrial plants leakages, e.g.)

  14. Principles of Physical Modelling of Unsaturated Soils

    OpenAIRE

    CAICEDO, Bernardo; THOREL, Luc

    2014-01-01

    Centrifuge modelling has been widely used to simulate the performance of a variety of geotechnical works, most of them focusing on saturated clays or dry sands. On the other hand, the performance of some geotechnical works depends on the behaviour of shallow layers in the soil deposit where it is frequently unsaturated. Centrifuge modelling could be a powerful tool to study the performance of shallow geotechnical works. However all the experimental complexities related to unsaturated soils, w...

  15. Contribution to the coordination chemistry of penta, hexa and heptavalent ions of 5f elements

    International Nuclear Information System (INIS)

    Musikas, Claude.

    1978-01-01

    This report has two main parts in which are discussed results dealing with: - aquo and hydroxo complexes of penta, hexa and heptavalent ions of 5f elements - pseuso halides complexes of these ions (SCN - , N 3 - , CN - ). It has been shown, by spectrophotometric and electrochemical measurements that U (V) possesses an aquo ion more acid than the known UO 2 + ion. This form is observed as insoluble hydroxid near pH 3.0 or as soluble polynuclear hydroxo complexes at lower pH. Hydroxo anionic complexes of U (VI) have been observed and one can precise the mecanism of hydrolysis of UO 2 ++ ions beyond he hydroxid UO 2 (OH) 2 . At pH 9 to 12, polynuclear species with low negative charge have been observed. At pH 13, others OH - ions enter in the coordination sphere of UO 2 ++ and mononuclear species are obtained. Reduction of polynuclear species leads to mixed hydroxo complexes of 'blue type'. Studies of hydrolysis of NpO 2 + allow to propose an hydrolysis mechanism similar to UO 2 ++ one. With electrochemical methods that in acidic media Np (VII) is present as NpO 3 + ions. Solubility product of NpO 3 OH has been measured. The second part is devoted to pseudohalides complexes of UO 2 ++ , UO 2 + and NpO 2 + ions [fr

  16. Homogeneously catalysed hydrogenation of unsaturated fatty acids to unsaturated fatty alcohols

    NARCIS (Netherlands)

    Stouthamer, B.; Vlugter, J.C.

    1965-01-01

    The use of copper and cadmium oxides or soaps as catalysts for the hydrogenation of unsaturated fatty acids to unsaturated fatty alcohols has been investigated. It is shown that copper soaps homogeneously activate hydrogen. When copper and cadmium oxides are used as catalysts, they react with the

  17. Electrokinetic extraction of chromate from unsaturated soils

    International Nuclear Information System (INIS)

    Mattson, E.D.; Lindgren, E.R.

    1993-01-01

    Heavy-metal contamination of soil and groundwater is a widespread problem in industrial nations. Remediation by excavation of such sites may not be cost effective or politically acceptable. Electrokinetic remediation is one possible remediation technique for in situ removal of such contaminants from unsaturated soils. Previous papers discussing the work performed by researchers at Sandia National Laboratories (SNL) and Sat-Unsat, Inc. (SUI) (Lindgren et al., 1991, 1992, 1993) focused on the transport of contaminants and dyes by electrokinetics in unsaturated soils. These experiments were conducted with graphite electrodes with no extraction system. As the contaminants migrated through the soil, they increased in concentration at the electrode creating a diffusion flux in the opposite direction. This paper discusses a technique to remove the contaminants from unsaturated soils once they have reached an electrode

  18. Electrokinetic extraction of chromate from unsaturated soils

    Energy Technology Data Exchange (ETDEWEB)

    Mattson, E.D. [SAT-UNSAT, Inc., Albuquerque, NM (United States); Lindgren, E.R. [Sandia National Labs., Albuquerque, NM (United States)

    1993-11-01

    Heavy-metal contamination of soil and groundwater is a widespread problem in industrial nations. Remediation by excavation of such sites may not be cost effective or politically acceptable. Electrokinetic remediation is one possible remediation technique for in situ removal of such contaminants from unsaturated soils. Previous papers discussing the work performed by researchers at Sandia National Laboratories (SNL) and Sat-Unsat, Inc. (SUI) (Lindgren et al., 1991, 1992, 1993) focused on the transport of contaminants and dyes by electrokinetics in unsaturated soils. These experiments were conducted with graphite electrodes with no extraction system. As the contaminants migrated through the soil, they increased in concentration at the electrode creating a diffusion flux in the opposite direction. This paper discusses a technique to remove the contaminants from unsaturated soils once they have reached an electrode.

  19. Vertical hydrochemical profiles in the unsaturated zone of louga ...

    African Journals Online (AJOL)

    Solutions chemistry of the rainwater and the unsaturated zone interstitial water of Louga (Northern Senegal) local aquifer provide valuable ... together with chemical analysis of the interstitial water carried out through the entire unsaturated ...

  20. Waste package performance in unsaturated rock

    International Nuclear Information System (INIS)

    Pigford, T.H.; Lee, W.W.-L.

    1989-03-01

    The unsaturated rock and near-atmospheric pressure of the potential nuclear waste repository at Yucca Mountain present new problems of predicting waste package performance. In this paper we present some illustrations of predictions of waste package performance and discuss important data needs. 11 refs., 9 figs., 1 tab

  1. Oxygenation of saturated and unsaturated hydrocarbons with ...

    Indian Academy of Sciences (India)

    Unknown

    Oxygenation of saturated and unsaturated hydrocarbons with sodium periodate. 431. Table 1. Competitive oxygenation of tetralin and cyclooctene with sodium periodate catalyzed by different manga- .... Teacher Education University. My grateful thanks also extend to Dr D Mohajer for his useful sugges- tions. References. 1.

  2. Movement of radionuclides through unsaturated soils

    International Nuclear Information System (INIS)

    de Sousa, F.N.C.

    1985-01-01

    The advantages of the disposal of low-level radioactive wastes in the unsaturated zone above the fluctuations of the water table have been recognized for some time. However, most the numerical models used to simulate the environmental impact of a shallow land burial site assume that the soils surrounding the waste forms are saturated; this assumption may lead, in many cases, to unrealistic large leach and water flow rates. The main purpose of this study was the development of a procedure which could give a reliable prediction on the movement of radionuclides from shallow land burial sites located in the unsaturated zone. In order to accomplish this objective three different soils having different sand, silt, and clay fractions were selected and characterized. These soils were then used to fill a number of flow columns that were used in tests designed to provide input data for the flow and transport models. A one-dimensional finite element model was developed in order to simulate the water flow and radionuclide transport through unsaturated soils. The results obtained showed that the model accurately described the transport of radionuclides through saturated-unsaturated soils. Simulations were done, for all three soils, involving different degrees of soil saturation, and the results showed that assuming the soils are always saturated may lead to nuclide transport times which are orders of magnitude larger than the real ones, depending on the clay percentage present in the soil

  3. Certification of selected polynuclear aromatic hydrocarbons in standard reference material 1580, 'Organics in Shale Oil'. Final report

    Energy Technology Data Exchange (ETDEWEB)

    May, W.E.; Brown-Thomas, J.M.; Hilpert, L.R.; Wise, S.A.

    1981-01-01

    Two independent analytical methods were developed and used to certify the concentrations of five polynuclear aromatic hydrocarbons (PAH) in a shale oil sample (SRM 1580). In the sequential high-performance liquid chromatographic method, PAH are isolated from the matrix by chromatography on an aminosilane column. The individual analyte species were separated, identified, and quantified by chromatography on an octadecylsilane column with spectrofluorimetric detection. Dilution of the sample in methylene chloride was the only sample preparation step necessary prior to analysis by gas chromatography/mass spectrometry (GC/MS). The GC/MS determinations were performed using selected ion monitoring (SIM) and a standard addition technique for quantification. The polynuclear aromatic hydrocarbons of interest were separated on a 30 m SE-52 wall coated open tubular column interfaced to a quadrupole mass spectrometer through a 25 cm length of Pt/Ir tubing (0.15 mm i.d.). Excellent agreement was observed between the data obtained from these methods.

  4. Pumping Test Determination of Unsaturated Aquifer Properties

    Science.gov (United States)

    Mishra, P. K.; Neuman, S. P.

    2008-12-01

    Tartakovsky and Neuman [2007] presented a new analytical solution for flow to a partially penetrating well pumping at a constant rate from a compressible unconfined aquifer considering the unsaturated zone. In their solution three-dimensional, axially symmetric unsaturated flow is described by a linearized version of Richards' equation in which both hydraulic conductivity and water content vary exponentially with incremental capillary pressure head relative to its air entry value, the latter defining the interface between the saturated and unsaturated zones. Both exponential functions are characterized by a common exponent k having the dimension of inverse length, or equivalently a dimensionless exponent kd=kb where b is initial saturated thickness. The authors used their solution to analyze drawdown data from a pumping test conducted by Moench et al. [2001] in a Glacial Outwash Deposit at Cape Cod, Massachusetts. Their analysis yielded estimates of horizontal and vertical saturated hydraulic conductivities, specific storage, specific yield and k . Recognizing that hydraulic conductivity and water content seldom vary identically with incremental capillary pressure head, as assumed by Tartakovsky and Neuman [2007], we note that k is at best an effective rather than a directly measurable soil parameter. We therefore ask to what extent does interpretation of a pumping test based on the Tartakovsky-Neuman solution allow estimating aquifer unsaturated parameters as described by more common constitutive water retention and relative hydraulic conductivity models such as those of Brooks and Corey [1964] or van Genuchten [1980] and Mualem [1976a]? We address this question by showing how may be used to estimate the capillary air entry pressure head k and the parameters of such constitutive models directly, without a need for inverse unsaturated numerical simulations of the kind described by Moench [2003]. To assess the validity of such direct estimates we use maximum

  5. Poisson Coordinates.

    Science.gov (United States)

    Li, Xian-Ying; Hu, Shi-Min

    2013-02-01

    Harmonic functions are the critical points of a Dirichlet energy functional, the linear projections of conformal maps. They play an important role in computer graphics, particularly for gradient-domain image processing and shape-preserving geometric computation. We propose Poisson coordinates, a novel transfinite interpolation scheme based on the Poisson integral formula, as a rapid way to estimate a harmonic function on a certain domain with desired boundary values. Poisson coordinates are an extension of the Mean Value coordinates (MVCs) which inherit their linear precision, smoothness, and kernel positivity. We give explicit formulas for Poisson coordinates in both continuous and 2D discrete forms. Superior to MVCs, Poisson coordinates are proved to be pseudoharmonic (i.e., they reproduce harmonic functions on n-dimensional balls). Our experimental results show that Poisson coordinates have lower Dirichlet energies than MVCs on a number of typical 2D domains (particularly convex domains). As well as presenting a formula, our approach provides useful insights for further studies on coordinates-based interpolation and fast estimation of harmonic functions.

  6. Towards the blackbox computation of magnetic exchange coupling parameters in polynuclear transition-metal complexes: theory, implementation, and application.

    Science.gov (United States)

    Phillips, Jordan J; Peralta, Juan E

    2013-05-07

    We present a method for calculating magnetic coupling parameters from a single spin-configuration via analytic derivatives of the electronic energy with respect to the local spin direction. This method does not introduce new approximations beyond those found in the Heisenberg-Dirac Hamiltonian and a standard Kohn-Sham Density Functional Theory calculation, and in the limit of an ideal Heisenberg system it reproduces the coupling as determined from spin-projected energy-differences. Our method employs a generalized perturbative approach to constrained density functional theory, where exact expressions for the energy to second order in the constraints are obtained by analytic derivatives from coupled-perturbed theory. When the relative angle between magnetization vectors of metal atoms enters as a constraint, this allows us to calculate all the magnetic exchange couplings of a system from derivatives with respect to local spin directions from the high-spin configuration. Because of the favorable computational scaling of our method with respect to the number of spin-centers, as compared to the broken-symmetry energy-differences approach, this opens the possibility for the blackbox exploration of magnetic properties in large polynuclear transition-metal complexes. In this work we outline the motivation, theory, and implementation of this method, and present results for several model systems and transition-metal complexes with a variety of density functional approximations and Hartree-Fock.

  7. Three-dimensional tetranuclear Cd(II) coordination network based on a 1,3-alternate calix[4]arene derivative

    International Nuclear Information System (INIS)

    Lee, Eun Ji; Ju, Hui Yeong; Park, Ki Min; Moon, ASuk Hee; Kang, Young Jin

    2015-01-01

    Polynuclear coordination polymers can exhibit more intriguing network topologies and better functionalities than those of common complexes because they have metal-cluster nodes for the construction of multidimensional frameworks and the potential applications induced by collaborative activities between metal ions. New tetranuclear Cd(II) coordination polymer 1 based on 1,3-alternate calix arene derivative (H_4 CTA) with four carboxyl pendant arms has been synthesized by the solvo thermal reaction at 110 .deg. C for 2 days. Compound 1 shows a 3-D framework consisting of tetranuclear Cd(II) cluster core as a metal-cluster node and 1,3-alternate H_4CTA as a multidentate linker. The coordination polymer 1 displays intense blue emission, implying that this tetranuclear Cd(II) coordination polymer could be a suitable material in the area of luminescence research

  8. Three-dimensional tetranuclear Cd(II) coordination network based on a 1,3-alternate calix[4]arene derivative

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Eun Ji; Ju, Hui Yeong; Park, Ki Min [Dept. of Chemistry and Research Institute of Natural Science, Gyeongsang National University, Jinju (Korea, Republic of); Moon, ASuk Hee [Dept. of Food and Nutrition, Kyungnam College of Inform ation and Technology, Busan (Korea, Republic of); Kang, Young Jin [Div. of cience Education, Kangwon National University, Chuncheon (Korea, Republic of)

    2015-08-15

    Polynuclear coordination polymers can exhibit more intriguing network topologies and better functionalities than those of common complexes because they have metal-cluster nodes for the construction of multidimensional frameworks and the potential applications induced by collaborative activities between metal ions. New tetranuclear Cd(II) coordination polymer 1 based on 1,3-alternate calix arene derivative (H{sub 4} CTA) with four carboxyl pendant arms has been synthesized by the solvo thermal reaction at 110 .deg. C for 2 days. Compound 1 shows a 3-D framework consisting of tetranuclear Cd(II) cluster core as a metal-cluster node and 1,3-alternate H{sub 4}CTA as a multidentate linker. The coordination polymer 1 displays intense blue emission, implying that this tetranuclear Cd(II) coordination polymer could be a suitable material in the area of luminescence research.

  9. Hydrolysis studies on bismuth nitrate: synthesis and crystallization of four novel polynuclear basic bismuth nitrates.

    Science.gov (United States)

    Miersch, L; Rüffer, T; Schlesinger, M; Lang, H; Mehring, M

    2012-09-03

    Hydrolysis of Bi(NO(3))(3) in aqueous solution gave crystals of the novel compounds [Bi(6)O(4)(OH)(4)(NO(3))(5)(H(2)O)](NO(3)) (1) and [Bi(6)O(4)(OH)(4)(NO(3))(6)(H(2)O)(2)]·H(2)O (2) among the series of hexanuclear bismuth oxido nitrates. Compounds 1 and 2 both crystallize in the monoclinic space group P2(1)/n but show significant differences in their lattice parameters: 1, a = 9.2516(6) Å, b = 13.4298(9) Å, c = 17.8471(14) Å, β = 94.531(6)°, V = 2210.5(3) Å(3); 2, a = 9.0149(3) Å, b = 16.9298(4) Å, c = 15.6864(4) Å, β = 90.129(3)°, V = 2394.06(12) Å(3). Variation of the conditions for partial hydrolysis of Bi(NO(3))(3) gave bismuth oxido nitrates of even higher nuclearity, [{Bi(38)O(45)(NO(3))(24)(DMSO)(26)}·4DMSO][{Bi(38)O(45)(NO(3))(24)(DMSO)(24)}·4DMSO] (3) and [{Bi(38)O(45)(NO(3))(24)(DMSO)(26)}·2DMSO][{Bi(38)O(45)(NO(3))(24)(DMSO)(24)}·0.5DMSO] (5), upon crystallization from DMSO. Bismuth oxido clusters 3 and 5 crystallize in the triclinic space group P1 both with two crystallographically independent molecules in the asymmetric unit. The following lattice parameters are observed: 3, a = 20.3804(10) Å, b = 20.3871(9) Å, c = 34.9715(15) Å, α = 76.657(4)°, β = 73.479(4)°, γ = 60.228(5)°, V = 12021.7(9) Å(3); 5, a = 20.0329(4) Å, b = 20.0601(4) Å, c = 34.3532(6) Å, α = 90.196(1)°, β = 91.344(2)°, γ = 119.370(2)°, V = 12025.8(4) Å(3). Differences in the number of DMSO molecules (coordinated and noncoordinated) and ligand (nitrate, DMSO) coordination modes are observed.

  10. Analysis of Rainfall Infiltration Law in Unsaturated Soil Slope

    OpenAIRE

    Zhang, Gui-rong; Qian, Ya-jun; Wang, Zhang-chun; Zhao, Bo

    2014-01-01

    In the study of unsaturated soil slope stability under rainfall infiltration, it is worth continuing to explore how much rainfall infiltrates into the slope in a rain process, and the amount of rainfall infiltrating into slope is the important factor influencing the stability. Therefore, rainfall infiltration capacity is an important issue of unsaturated seepage analysis for slope. On the basis of previous studies, rainfall infiltration law of unsaturated soil slope is analyzed. Considering t...

  11. Unsaturated fatty acids in the diet of inpatients

    OpenAIRE

    KONHEFROVÁ, Veronika

    2015-01-01

    The thesis with the name "Unsaturated fatty acids in the diet of inpatients" is divided into a theoretical and a research parts. The theoretical part is focused on sorting out lipids and the recommended daily dosing. Next there are described the chemical structure of fatty acids and basic differences between saturated (SFA) and unsaturated (trans and cis) fatty acids. The biggest part of the theory is formed by the unsaturated fatty acids, their characteristics, food source and their effect o...

  12. Review and selection of unsaturated flow models

    Energy Technology Data Exchange (ETDEWEB)

    Reeves, M.; Baker, N.A.; Duguid, J.O. [INTERA, Inc., Las Vegas, NV (United States)

    1994-04-04

    Since the 1960`s, ground-water flow models have been used for analysis of water resources problems. In the 1970`s, emphasis began to shift to analysis of waste management problems. This shift in emphasis was largely brought about by site selection activities for geologic repositories for disposal of high-level radioactive wastes. Model development during the 1970`s and well into the 1980`s focused primarily on saturated ground-water flow because geologic repositories in salt, basalt, granite, shale, and tuff were envisioned to be below the water table. Selection of the unsaturated zone at Yucca Mountain, Nevada, for potential disposal of waste began to shift model development toward unsaturated flow models. Under the US Department of Energy (DOE), the Civilian Radioactive Waste Management System Management and Operating Contractor (CRWMS M&O) has the responsibility to review, evaluate, and document existing computer models; to conduct performance assessments; and to develop performance assessment models, where necessary. This document describes the CRWMS M&O approach to model review and evaluation (Chapter 2), and the requirements for unsaturated flow models which are the bases for selection from among the current models (Chapter 3). Chapter 4 identifies existing models, and their characteristics. Through a detailed examination of characteristics, Chapter 5 presents the selection of models for testing. Chapter 6 discusses the testing and verification of selected models. Chapters 7 and 8 give conclusions and make recommendations, respectively. Chapter 9 records the major references for each of the models reviewed. Appendix A, a collection of technical reviews for each model, contains a more complete list of references. Finally, Appendix B characterizes the problems used for model testing.

  13. Hydrocarbons biodegradation in unsaturated porous medium

    International Nuclear Information System (INIS)

    Gautier, C.

    2007-12-01

    Biological processes are expected to play an important role in the degradation of petroleum hydrocarbons in contaminated soils. However, factors influencing the kinetics of biodegradation are still not well known, especially in the unsaturated zone. To address these biodegradation questions in the unsaturated zone an innovative experimental set up based on a physical column model was developed. This experimental set up appeared to be an excellent tool for elaboration of a structured porous medium, with well defined porous network and adjusted water/oil saturations. Homogeneous repartition of both liquid phases (i.e., aqueous and non aqueous) in the soil pores, which also contain air, was achieved using ceramic membranes placed at the bottom of the soil column. Reproducible interfaces (and connectivity) are developed between gas, and both non mobile water and NAPL phases, depending on the above-defined characteristics of the porous media and on the partial saturations of these three phases (NAPL, water and gas). A respirometric apparatus was coupled to the column. Such experimental set up have been validated with hexadecane in dilution in an HMN phase. This approach allowed detailed information concerning n-hexadecane biodegradation, in aerobic condition, through the profile of the oxygen consumption rate. We have taken benefit of this technique, varying experimental conditions, to determine the main parameters influencing the biodegradation kinetics and compositional evolution of hydrocarbons, under steady state unsaturated conditions and with respect to aerobic metabolism. Impacts of the nitrogen quantity and of three different grain sizes have been examined. Biodegradation of petroleum cut, as diesel cut and middle distillate without aromatic fraction, were, also studied. (author)

  14. Review and selection of unsaturated flow models

    International Nuclear Information System (INIS)

    Reeves, M.; Baker, N.A.; Duguid, J.O.

    1994-01-01

    Since the 1960's, ground-water flow models have been used for analysis of water resources problems. In the 1970's, emphasis began to shift to analysis of waste management problems. This shift in emphasis was largely brought about by site selection activities for geologic repositories for disposal of high-level radioactive wastes. Model development during the 1970's and well into the 1980's focused primarily on saturated ground-water flow because geologic repositories in salt, basalt, granite, shale, and tuff were envisioned to be below the water table. Selection of the unsaturated zone at Yucca Mountain, Nevada, for potential disposal of waste began to shift model development toward unsaturated flow models. Under the US Department of Energy (DOE), the Civilian Radioactive Waste Management System Management and Operating Contractor (CRWMS M ampersand O) has the responsibility to review, evaluate, and document existing computer models; to conduct performance assessments; and to develop performance assessment models, where necessary. This document describes the CRWMS M ampersand O approach to model review and evaluation (Chapter 2), and the requirements for unsaturated flow models which are the bases for selection from among the current models (Chapter 3). Chapter 4 identifies existing models, and their characteristics. Through a detailed examination of characteristics, Chapter 5 presents the selection of models for testing. Chapter 6 discusses the testing and verification of selected models. Chapters 7 and 8 give conclusions and make recommendations, respectively. Chapter 9 records the major references for each of the models reviewed. Appendix A, a collection of technical reviews for each model, contains a more complete list of references. Finally, Appendix B characterizes the problems used for model testing

  15. Barriers to bacterial motility on unsaturated surfaces

    DEFF Research Database (Denmark)

    Dechesne, Arnaud; Smets, Barth F.

    2013-01-01

    Our knowledge of the spatial organization and spatial dynamics of microbial populations in soil at a scale close to that of the microorganisms is scarce. While passive dispersal via water ow or soil biota is probably a major dispersal route, it is reasonable to consider that active dispersal also...... and their isogenic mutants unable to express various type of motility we aimed to quantify the physical limits of bacterial motility. Our results demonstrate how hydration controls bacterial motility under unsaturated conditions. They can form the base of improved biodegradation models that include microbial...

  16. Two-dimensional steady unsaturated flow through embedded elliptical layers

    Science.gov (United States)

    Bakker, Mark; Nieber, John L.

    2004-12-01

    New analytic element solutions are presented for unsaturated, two-dimensional steady flow in vertical planes that include nonoverlapping impermeable elliptical layers and elliptical inhomogeneities. The hydraulic conductivity, which is represented by an exponential function of the pressure head, differs between the inside and outside of an elliptical inhomogeneity; both the saturated hydraulic conductivity and water retention parameters are allowed to differ between the inside and outside. The Richards equation is transformed, through the Kirchhoff transformation and a second standard transformation, into the modified Helmholtz equation. Analytic element solutions are obtained through separation of variables in elliptical coordinates. The resulting equations for the Kirchhoff potential consist of infinite sums of products of exponentials and modified Mathieu functions. In practical applications the series are truncated but still fulfill the differential equation exactly; boundary conditions are met approximately but up to machine accuracy, provided that enough terms are used. The pressure head, saturation, and flow may be computed analytically at any point in the vadose zone. Examples are given of the shadowing effect of an impermeable elliptical layer in a uniform flow field and funnel-type flow between two elliptical inhomogeneities. The presented solutions may be applied to study transport processes in vadose zones containing many impermeable elliptical layers or elliptical inhomogeneities.

  17. Coordination cycles

    Czech Academy of Sciences Publication Activity Database

    Steiner, Jakub

    -, č. 274 (2005), s. 1-26 ISSN 1211-3298 Institutional research plan: CEZ:AV0Z70850503 Keywords : coordination * crises * cycles and fluctuations Subject RIV: AH - Economics http://www.cerge-ei.cz/pdf/wp/Wp274.pdf

  18. Coordination cycles

    Czech Academy of Sciences Publication Activity Database

    Steiner, Jakub

    2008-01-01

    Roč. 63, č. 1 (2008), s. 308-327 ISSN 0899-8256 Institutional research plan: CEZ:AV0Z70850503 Keywords : global games * coordination * crises * cycles and fluctuations Subject RIV: AH - Economics Impact factor: 1.333, year: 2008

  19. Estimate of dispersion in an unsaturated aquifer

    Science.gov (United States)

    Stephenson, D.; De Jesus, A. S. M.

    1985-10-01

    The Nuclear Development Corporation of South Africa (Pty) Ltd. (NUCOR) is constructing a low-level radioactive waste disposal site near Springbok in Namaqualand, an arid region to the west of South Africa. A groundwater model was developed which required site-specific data and this work describes procedures developed to assess the dispersivity of the soil in the vicinity of the proposed site. Preliminary laboratory tests, carried out using a sodium chloride solution, indicated the order of magnitude of the dispersivity for saturated soil at various levels. This enabled site tests to be designed. The site tests were done by injecting a pulse of scandium-46 into a hole and monitoring the displacement of the radioactive cloud as it moved down under gravity and spread laterally. A mathematical model was developed to predict the behaviour of the cloud and calibration of the model yielded vertical and horizontal dispersivities. The dispersion of radioactivity at the cloud front was assumed to occur in unsaturated medium while the continuously injected water behind the radioactivity was assumed to disperse in a saturated medium. Thus monitoring the concentration of both yielded approximate values for the effective dispersivities in unsaturated and saturated media.

  20. NaturAnalogs for the Unsaturated Zone

    Energy Technology Data Exchange (ETDEWEB)

    A. Simmons; A. Unger; M. Murrell

    2000-03-08

    The purpose of this Analysis/Model Report (AMR) is to document natural and anthropogenic (human-induced) analog sites and processes that are applicable to flow and transport processes expected to occur at the potential Yucca Mountain repository in order to build increased confidence in modeling processes of Unsaturated Zone (UZ) flow and transport. This AMR was prepared in accordance with ''AMR Development Plan for U0135, Natural Analogs for the UZ'' (CRWMS 1999a). Knowledge from analog sites and processes is used as corroborating information to test and build confidence in flow and transport models of Yucca Mountain, Nevada. This AMR supports the Unsaturated Zone (UZ) Flow and Transport Process Model Report (PMR) and the Yucca Mountain Site Description. The objectives of this AMR are to test and build confidence in the representation of UZ processes in numerical models utilized in the UZ Flow and Transport Model. This is accomplished by: (1) applying data from Boxy Canyon, Idaho in simulations of UZ flow using the same methodologies incorporated in the Yucca Mountain UZ Flow and Transport Model to assess the fracture-matrix interaction conceptual model; (2) Providing a preliminary basis for analysis of radionuclide transport at Pena Blanca, Mexico as an analog of radionuclide transport at Yucca Mountain; and (3) Synthesizing existing information from natural analog studies to provide corroborating evidence for representation of ambient and thermally coupled UZ flow and transport processes in the UZ Model.

  1. Natural Analogs for the Unsaturated Zone

    International Nuclear Information System (INIS)

    Simmons, A.; Unger, A.; Murrell, M.

    2000-01-01

    The purpose of this Analysis/Model Report (AMR) is to document natural and anthropogenic (human-induced) analog sites and processes that are applicable to flow and transport processes expected to occur at the potential Yucca Mountain repository in order to build increased confidence in modeling processes of Unsaturated Zone (UZ) flow and transport. This AMR was prepared in accordance with ''AMR Development Plan for U0135, Natural Analogs for the UZ'' (CRWMS 1999a). Knowledge from analog sites and processes is used as corroborating information to test and build confidence in flow and transport models of Yucca Mountain, Nevada. This AMR supports the Unsaturated Zone (UZ) Flow and Transport Process Model Report (PMR) and the Yucca Mountain Site Description. The objectives of this AMR are to test and build confidence in the representation of UZ processes in numerical models utilized in the UZ Flow and Transport Model. This is accomplished by: (1) applying data from Boxy Canyon, Idaho in simulations of UZ flow using the same methodologies incorporated in the Yucca Mountain UZ Flow and Transport Model to assess the fracture-matrix interaction conceptual model; (2) Providing a preliminary basis for analysis of radionuclide transport at Pena Blanca, Mexico as an analog of radionuclide transport at Yucca Mountain; and (3) Synthesizing existing information from natural analog studies to provide corroborating evidence for representation of ambient and thermally coupled UZ flow and transport processes in the UZ Model

  2. Unsaturated zone flow modeling for GWTT-95

    International Nuclear Information System (INIS)

    Ho, C.K.; Altman, S.J.; McKenna, S.A.; Arnold, B.W.

    1995-01-01

    In accordance with the Nuclear Regulatory Commission regulation regarding groundwater travel times at geologic repositories, various models of unsaturated flow in fractured tuff have been developed and implemented to assess groundwater travel times at the potential repository at Yucca Mountain, Nevada. Kaplan used one-dimensional models to describe the uncertainty and sensitivity of travel times to various processes at Yucca Mountain. Robey and Arnold et al. used a two-dimensional equivalent continuum model (ECM) with inter- and intra-unit heterogeneity in an attempt to assess fast-flow paths through the unsaturated, fractured tuff at Yucca Mountain (GWTT-94). However, significant flow through the fractures in previous models was not simulated due to the characteristics of the ECM, which requires the matrix to be nearly saturated before flow through the fractures is initiated. In the current study (GWTT-95), four two-dimensional cross-sections at Yucca Mountain are simulated using both the ECM and dual-permeability (DK) models. The properties of both the fracture and matrix domains are geostatistically simulated, yielding completely heterogeneous continua. Then, simulations of flow through the four cross-sections are performed using spatially nonuniform infiltration boundary conditions. Steady-state groundwater travel times from the potential repository to the water table are calculated

  3. Deuterium labelling studies with unsaturated acids and nitriles

    International Nuclear Information System (INIS)

    Desai, U.V.; Mane, R.B.

    1986-01-01

    α-Deuteriated α,β-unsaturated acids have been prepared by Knoevenagel condensation of aldehydes with deuteriated malonic acid. The decarboxylation of α,β-unsaturated cyano acid with pyridine/D 2 O yields α- and γ-labelled nitriles. The deuterium incorporation is studied by pmr spectroscopy. (author). 8 refs

  4. Transient Point Infiltration In The Unsaturated Zone

    Science.gov (United States)

    Buecker-Gittel, M.; Mohrlok, U.

    The risk assessment of leaking sewer pipes gets more and more important due to urban groundwater management and environmental as well as health safety. This requires the quantification and balancing of transport and transformation processes based on the water flow in the unsaturated zone. The water flow from a single sewer leakage could be described as a point infiltration with time varying hydraulic conditions externally and internally. External variations are caused by the discharge in the sewer pipe as well as the state of the leakage itself. Internal variations are the results of microbiological clogging effects associated with the transformation processes. Technical as well as small scale laboratory experiments were conducted in order to investigate the water transport from an transient point infiltration. From the technical scale experiment there was evidence that the water flow takes place under transient conditions when sewage infiltrates into an unsaturated soil. Whereas the small scale experiments investigated the hydraulics of the water transport and the associated so- lute and particle transport in unsaturated soils in detail. The small scale experiment was a two-dimensional representation of such a point infiltration source where the distributed water transport could be measured by several tensiometers in the soil as well as by a selective measurement of the discharge at the bottom of the experimental setup. Several series of experiments were conducted varying the boundary and initial con- ditions in order to derive the important parameters controlling the infiltration of pure water from the point source. The results showed that there is a significant difference between the infiltration rate in the point source and the discharge rate at the bottom, that could be explained by storage processes due to an outflow resistance at the bottom. This effect is overlayn by a decreasing water content decreases over time correlated with a decreasing infiltration

  5. TECHNICAL COORDINATION

    CERN Multimedia

    A. Ball

    Overview From a technical perspective, CMS has been in “beam operation” state since 6th November. The detector is fully closed with all components operational and the magnetic field is normally at the nominal 3.8T. The UXC cavern is normally closed with the radiation veto set. Access to UXC is now only possible during downtimes of LHC. Such accesses must be carefully planned, documented and carried out in agreement with CMS Technical Coordination, Experimental Area Management, LHC programme coordination and the CCC. Material flow in and out of UXC is now strictly controlled. Access to USC remains possible at any time, although, for safety reasons, it is necessary to register with the shift crew in the control room before going down.It is obligatory for all material leaving UXC to pass through the underground buffer zone for RP scanning, database entry and appropriate labeling for traceability. Technical coordination (notably Stephane Bally and Christoph Schaefer), the shift crew and run ...

  6. Abstracts of the symposium on unsaturated flow and transport modeling

    International Nuclear Information System (INIS)

    1982-03-01

    Abstract titles are: Recent developments in modeling variably saturated flow and transport; Unsaturated flow modeling as applied to field problems; Coupled heat and moisture transport in unsaturated soils; Influence of climatic parameters on movement of radionuclides in a multilayered saturated-unsaturated media; Modeling water and solute transport in soil containing roots; Simulation of consolidation in partially saturated soil materials; modeling of water and solute transport in unsaturated heterogeneous fields; Fluid dynamics and mass transfer in variably-saturated porous media; Solute transport through soils; One-dimensional analytical transport modeling; Convective transport of ideal tracers in unsaturated soils; Chemical transport in macropore-mesopore media under partially saturated conditions; Influence of the tension-saturated zone on contaminant migration in shallow water regimes; Influence of the spatial distribution of velocities in porous media on the form of solute transport; Stochastic vs deterministic models for solute movement in the field; and Stochastic analysis of flow and solute transport

  7. Preferential flow occurs in unsaturated conditions

    Science.gov (United States)

    Nimmo, John R.

    2012-01-01

    Because it commonly generates high-speed, high-volume flow with minimal exposure to solid earth materials, preferential flow in the unsaturated zone is a dominant influence in many problems of infiltration, recharge, contaminant transport, and ecohydrology. By definition, preferential flow occurs in a portion of a medium – that is, a preferred part, whether a pathway, pore, or macroscopic subvolume. There are many possible classification schemes, but usual consideration of preferential flow includes macropore or fracture flow, funneled flow determined by macroscale heterogeneities, and fingered flow determined by hydraulic instability rather than intrinsic heterogeneity. That preferential flow is spatially concentrated associates it with other characteristics that are typical, although not defining: it tends to be unusually fast, to transport high fluxes, and to occur with hydraulic disequilibrium within the medium. It also has a tendency to occur in association with large conduits and high water content, although these are less universal than is commonly assumed. Predictive unsaturated-zone flow models in common use employ several different criteria for when and where preferential flow occurs, almost always requiring a nearly saturated medium. A threshold to be exceeded may be specified in terms of the following (i) water content; (ii) matric potential, typically a value high enough to cause capillary filling in a macropore of minimum size; (iii) infiltration capacity or other indication of incipient surface ponding; or (iv) other conditions related to total filling of certain pores. Yet preferential flow does occur without meeting these criteria. My purpose in this commentary is to point out important exceptions and implications of ignoring them. Some of these pertain mainly to macropore flow, others to fingered or funneled flow, and others to combined or undifferentiated flow modes.

  8. Are polynuclear superhalogens without halogen atoms probable? A high-level ab initio case study on triple-bridged binuclear anions with cyanide ligands

    Science.gov (United States)

    Yin, Bing; Li, Teng; Li, Jin-Feng; Yu, Yang; Li, Jian-Li; Wen, Zhen-Yi; Jiang, Zhen-Yi

    2014-03-01

    The first theoretical exploration of superhalogen properties of polynuclear structures based on pseudohalogen ligand is reported here via a case study on eight triply-bridged [Mg2(CN)5]- clusters. From our high-level ab initio results, all these clusters are superhalogens due to their high vertical electron detachment energies (VDE), of which the largest value is 8.67 eV at coupled-cluster single double triple (CCSD(T)) level. Although outer valence Green's function results are consistent with CCSD(T) in most cases, it overestimates the VDEs of three anions dramatically by more than 1 eV. Therefore, the combined usage of several theoretical methods is important for the accuracy of purely theoretical prediction of superhalogen properties of new structures. Spatial distribution of the extra electron of high-VDE anions here indicates two features: remarkable aggregation on bridging CN units and non-negligible distribution on every CN unit. These two features lower the potential and kinetic energies of the extra electron respectively and thus lead to high VDE. Besides superhalogen properties, the structures, relative stabilities and thermodynamic stabilities with respect to detachment of CN-1 were also investigated for these anions. The collection of these results indicates that polynuclear structures based on pseudohalogen ligand are promising candidates for new superhalogens with enhanced properties.

  9. Are polynuclear superhalogens without halogen atoms probable? A high-level ab initio case study on triple-bridged binuclear anions with cyanide ligands

    International Nuclear Information System (INIS)

    Yin, Bing; Wen, Zhen-Yi; Li, Teng; Li, Jin-Feng; Yu, Yang; Li, Jian-Li; Jiang, Zhen-Yi

    2014-01-01

    The first theoretical exploration of superhalogen properties of polynuclear structures based on pseudohalogen ligand is reported here via a case study on eight triply-bridged [Mg 2 (CN) 5 ] − clusters. From our high-level ab initio results, all these clusters are superhalogens due to their high vertical electron detachment energies (VDE), of which the largest value is 8.67 eV at coupled-cluster single double triple (CCSD(T)) level. Although outer valence Green's function results are consistent with CCSD(T) in most cases, it overestimates the VDEs of three anions dramatically by more than 1 eV. Therefore, the combined usage of several theoretical methods is important for the accuracy of purely theoretical prediction of superhalogen properties of new structures. Spatial distribution of the extra electron of high-VDE anions here indicates two features: remarkable aggregation on bridging CN units and non-negligible distribution on every CN unit. These two features lower the potential and kinetic energies of the extra electron respectively and thus lead to high VDE. Besides superhalogen properties, the structures, relative stabilities and thermodynamic stabilities with respect to detachment of CN −1 were also investigated for these anions. The collection of these results indicates that polynuclear structures based on pseudohalogen ligand are promising candidates for new superhalogens with enhanced properties

  10. Probing the Properties of Polynuclear Superhalogens without Halogen Ligand via ab Initio Calculations: A Case Study on Double-Bridged [Mg2 (CN)5 ](-1) Anions.

    Science.gov (United States)

    Li, Jin-Feng; Li, Miao-Miao; Bai, Hongcun; Sun, Yin-Yin; Li, Jian-Li; Yin, Bing

    2015-12-01

    An ab initio study of the superhalogen properties of eighteen binuclear double-bridged [Mg2 (CN)5 ](-1) clusters is reported herein by using various theoretical methods. High-level CCSD(T) results indicate that all the clusters possess strong superhalogen properties owing to their high vertical electron detachment energies (VDEs), which exceed 6.8 eV (highest: 8.15 eV). The outer valence Green's function method provides inaccurate relative VDE values; hence, this method is not suitable for this kind of polynuclear superhalogens. Both the HF and MP2 results are generally consistent with the CCSD(T) level regarding the relative VDE values and-especially interesting-the average values of the HF and MP2 VDEs are extremely close to the CCSD(T) results. The distributions of the extra electrons of the anions are mainly aggregated into the terminal CN units. These distributions are apparently different from those of previously reported triple-bridged isomers and may be the reason for the decreased VDE values of the clusters. In addition, comparisons of the VDEs of binuclear and mononuclear superhalogens as well as studies of the thermodynamic stabilities with respect to the detachment of various CN(-1) ligands are also performed. These results confirm that polynuclear structures with pseudohalogen ligands can be considered as probable new superhalogens with enhanced properties. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Is the regulation of the electronic properties of organic molecules by polynuclear superhalogens more effective than that by mononuclear superhalogens? A high-level ab initio case study.

    Science.gov (United States)

    Li, Miao-Miao; Li, Jin-Feng; Bai, Hongcun; Sun, Yin-Yin; Li, Jian-Li; Yin, Bing

    2015-08-21

    The regulation of the electronic properties of organic molecules induced by polynuclear superhalogens is theoretically explored here for sixteen composite structures. It is clearly indicated by the higher vertical electron detachment energy (VDE) that polynuclear superhalogens are more effective in regulating the electronic properties than mononuclear structures. However, this enhanced regulation is not only determined by superhalogens themselves but also related to the distribution of the extra electron of the final composites. The composites, in which the extra electron is mainly aggregated into the superhalogen moiety, will possess higher VDE values, as reported in the case of C1', 7.12 eV at the CCSD(T) level. This is probably due to the fact that, compared with organic molecules, superhalogens possess stronger attraction towards the extra electron and thus should lead to lower energies of the extra electrons and to higher VDE values eventually. Compared with CCSD(T), the Outer Valence Green's Function (OVGF) method fails completely for composite structures containing Cl atoms, while MP2 results are generally consistent in terms of the relative order of VDEs. Actually if the extra electron distribution of the systems could be approximated by the HOMO, the results at the OVGF level will be consistent with the CCSD(T) results. Conversely, the difference in VDEs between OVGF and CCSD(T) is significantly large. Besides superhalogen properties, the structures, relative stabilities and thermodynamic stabilities with respect to various fragmentation channels were also investigated for all the composite structures.

  12. Could the description on polynuclear superhalogens by DFT be comparable with high-level ab initio results? A comparison between DFT and CCSD(T)

    International Nuclear Information System (INIS)

    Sun, Yin-Yin; Li, Jin-Feng; Li, Miao-Miao; Zhou, Fu-Qiang; Li, Jian-Li; Yin, Bing

    2016-01-01

    A systematic density functional theory study including 17 exchange-correlation functionals was performed on different types of superhalogens with high level coupled-cluster single double including perturbative triple excitations (CCSD(T)) results as the reference. The superhalogens selected here cover the ranges from mononuclear to polynuclear structures and from structures with halogen-atom ligands to those with non-halogen ligands, e.g., [MgX 3 ] − , [Mg 2 X 5 ] − , and [Mg 3 X 7 ] − (X = F, Cl, CN). It is clearly indicated that three double-hybrid functionals B2T-PLYP, B2GP-PLYP, B2K-PLYP as well as the range-separated hybrid functional ωB97X are capable of providing results which approach the accuracy at the CCSD(T) level. The basis set effect is usually moderate and, in most cases, it is enough to utilize the basis set of triple-ξ quality, e.g., Def2-TZVP. In addition, the results of the HF and MP2 method are also acceptable here, especially for polynuclear superhalogens where CCSD(T) is probably unpractical

  13. Are polynuclear superhalogens without halogen atoms probable? A high-level ab initio case study on triple-bridged binuclear anions with cyanide ligands

    Energy Technology Data Exchange (ETDEWEB)

    Yin, Bing, E-mail: rayinyin@gmail.com; Wen, Zhen-Yi [MOE Key Laboratory of Synthetic and Natural Functional Molecule Chemistry, Shaanxi Key Laboratory of Physico-Inorganic Chemistry, College of Chemistry and Materials Science, Northwest University, Xi' an 710069 (China); Institute of Modern Physics, Northwest University, Xi' an 710069 (China); Li, Teng; Li, Jin-Feng; Yu, Yang; Li, Jian-Li [MOE Key Laboratory of Synthetic and Natural Functional Molecule Chemistry, Shaanxi Key Laboratory of Physico-Inorganic Chemistry, College of Chemistry and Materials Science, Northwest University, Xi' an 710069 (China); Jiang, Zhen-Yi [Institute of Modern Physics, Northwest University, Xi' an 710069 (China)

    2014-03-07

    The first theoretical exploration of superhalogen properties of polynuclear structures based on pseudohalogen ligand is reported here via a case study on eight triply-bridged [Mg{sub 2}(CN){sub 5}]{sup −} clusters. From our high-level ab initio results, all these clusters are superhalogens due to their high vertical electron detachment energies (VDE), of which the largest value is 8.67 eV at coupled-cluster single double triple (CCSD(T)) level. Although outer valence Green's function results are consistent with CCSD(T) in most cases, it overestimates the VDEs of three anions dramatically by more than 1 eV. Therefore, the combined usage of several theoretical methods is important for the accuracy of purely theoretical prediction of superhalogen properties of new structures. Spatial distribution of the extra electron of high-VDE anions here indicates two features: remarkable aggregation on bridging CN units and non-negligible distribution on every CN unit. These two features lower the potential and kinetic energies of the extra electron respectively and thus lead to high VDE. Besides superhalogen properties, the structures, relative stabilities and thermodynamic stabilities with respect to detachment of CN{sup −1} were also investigated for these anions. The collection of these results indicates that polynuclear structures based on pseudohalogen ligand are promising candidates for new superhalogens with enhanced properties.

  14. Coordinating controls

    Energy Technology Data Exchange (ETDEWEB)

    Anon.

    1986-07-15

    While physics Laboratories are having to absorb cuts in resources, the machines they rely on are becoming more and more complex, requiring increasingly sophisticated systems. Rather than being a resourceful engineer or physicist able to timber together solutions in his 'backyard', the modern controls specialist has become a professional in his own right. Because of possible conflicts between increasing sophistication on one hand and scarcer resources on the other, there was felt a need for more contacts among controls specialists to exchange experiences, coordinate development and discuss 'family problems', away from meetings where the main interest is on experimental physics.

  15. Coordinated unbundling

    DEFF Research Database (Denmark)

    Timmermans, Bram; Zabala-Iturriagagoitia, Jon Mikel

    2013-01-01

    Public procurement for innovation is a matter of using public demand to trigger innovation. Empirical studies have demonstrated that demand-based policy instruments can be considered to be a powerful tool in stimulating innovative processes among existing firms; however, the existing literature has...... not focused on the role this policy instrument can play in the promotion of (knowledge-intensive) entrepreneurship. This paper investigates this link in more detail and introduces the concept of coordinated unbundling as a strategy that can facilitate this purpose. We also present a framework on how...

  16. Coordinating controls

    International Nuclear Information System (INIS)

    Anon.

    1986-01-01

    While physics Laboratories are having to absorb cuts in resources, the machines they rely on are becoming more and more complex, requiring increasingly sophisticated systems. Rather than being a resourceful engineer or physicist able to timber together solutions in his 'backyard', the modern controls specialist has become a professional in his own right. Because of possible conflicts between increasing sophistication on one hand and scarcer resources on the other, there was felt a need for more contacts among controls specialists to exchange experiences, coordinate development and discuss 'family problems', away from meetings where the main interest is on experimental physics

  17. TECHNICAL COORDINATION

    CERN Multimedia

    A. Ball

    2010-01-01

    Operational Experience At the end of the first full-year running period of LHC, CMS is established as a reliable, robust and mature experiment. In particular common systems and infrastructure faults accounted for <0.6 % CMS downtime during LHC pp physics. Technical operation throughout the entire year was rather smooth, the main faults requiring UXC access being sub-detector power systems and rack-cooling turbines. All such problems were corrected during scheduled technical stops, in the shadow of tunnel access needed by the LHC, or in negotiated accesses or access extensions. Nevertheless, the number of necessary accesses to the UXC averaged more than one per week and the technical stops were inevitably packed with work packages, typically 30 being executed within a few days, placing a high load on the coordination and area management teams. It is an appropriate moment for CMS Technical Coordination to thank all those in many CERN departments and in the Collaboration, who were involved in CMS techni...

  18. Boundary integral methods for unsaturated flow

    International Nuclear Information System (INIS)

    Martinez, M.J.; McTigue, D.F.

    1990-01-01

    Many large simulations may be required to assess the performance of Yucca Mountain as a possible site for the nations first high level nuclear waste repository. A boundary integral equation method (BIEM) is described for numerical analysis of quasilinear steady unsaturated flow in homogeneous material. The applicability of the exponential model for the dependence of hydraulic conductivity on pressure head is discussed briefly. This constitutive assumption is at the heart of the quasilinear transformation. Materials which display a wide distribution in pore-size are described reasonably well by the exponential. For materials with a narrow range in pore-size, the exponential is suitable over more limited ranges in pressure head. The numerical implementation of the BIEM is used to investigate the infiltration from a strip source to a water table. The net infiltration of moisture into a finite-depth layer is well-described by results for a semi-infinite layer if αD > 4, where α is the sorptive number and D is the depth to the water table. the distribution of moisture exhibits a similar dependence on αD. 11 refs., 4 figs.,

  19. Thermal conductivity of unsaturated clay-rocks

    Directory of Open Access Journals (Sweden)

    D. Jougnot

    2010-01-01

    Full Text Available The parameters used to describe the electrical conductivity of a porous material can be used to describe also its thermal conductivity. A new relationship is developed to connect the thermal conductivity of an unsaturated porous material to the thermal conductivity of the different phases of the composite, and two electrical parameters called the first and second Archie's exponents. A good agreement is obtained between the new model and thermal conductivity measurements performed using packs of glass beads and core samples of the Callovo-Oxfordian clay-rocks at different saturations of the water phase. We showed that the three model parameters optimised to fit the new model against experimental data (namely the thermal conductivity of the solid phase and the two Archie's exponents are consistent with independent estimates. We also observed that the anisotropy of the effective thermal conductivity of the Callovo-Oxfordian clay-rock was mainly due to the anisotropy of the thermal conductivity of the solid phase.

  20. Virus movement in soil during saturated and unsaturated flow.

    Science.gov (United States)

    Lance, J C; Gerba, C P

    1984-02-01

    Virus movement in soil during saturated and unsaturated flow was compared by adding poliovirus to sewage water and applying the water at different rates to a 250-cm-long soil column equipped with ceramic samplers at different depths. Movement of viruses during unsaturated flow of sewage through soil columns was much less than during saturated flow. Viruses did not move below the 40-cm level when sewage water was applied at less than the maximum infiltration rate; virus penetration in columns flooded with sewage was at least 160 cm. Therefore, virus movement in soils irrigated with sewage should be less than in flooded groundwater recharge basins or in saturated soil columns. Management of land treatment systems to provide unsaturated flow through the soil should minimize the depth of virus penetration. Differences in virus movement during saturated and unsaturated flow must be considered in the development of any model used to simulate virus movement in soils.

  1. Unsaturated carbone and allenylidene ruthenium complexes from alkynes

    International Nuclear Information System (INIS)

    Bozek, Yu.L.; Diznev, P.A.

    1995-01-01

    The author's studies aimed at activation of terminal alkynes by metal complexes, reactivity patterns and selective preparations of unsaturated carbene, allenylidene and cumulenylidene derivatives of (arene)ruthenium complexes are reviewed. 48 refs

  2. Synthesis and study of novel silicon-based unsaturated polymers

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Jibing [Iowa State Univ., Ames, IA (United States)

    1995-06-19

    Novel unsaturated polymers have been synthesized and studied as precursors to silicon carbide and third order nonlinear optical materials. X ray structures were obtained. Kinetic and mechanistic studies of the unique thermal isomerization of dimethylenedisilacyclobutane to a carbene were conducted.

  3. Quest for Highly-connected MOF Platforms: Rare-Earth Polynuclear Clusters Versatility Meets Net Topology Needs.

    KAUST Repository

    Alezi, Dalal; Peedikakkal, Abdul Malik P.; Weselinski, Lukasz Jan; Guillerm, Vincent; Belmabkhout, Youssef; Cairns, Amy; Chen, Zhijie; Wojtas, Lukasz; Eddaoudi, Mohamed

    2015-01-01

    that RE-MOFs with double six-membered ring (d6R) secondary building units are isolated, representing therefore a critical step forward toward the design of novel and highly coordinated materials using the supermolecular building layer approach while

  4. Polynuclear water-soluble dinitrosyl iron complexes with cysteine or glutathione ligands: electron paramagnetic resonance and optical studies.

    Science.gov (United States)

    Vanin, Anatoly F; Poltorakov, Alexander P; Mikoyan, Vasak D; Kubrina, Lyudmila N; Burbaev, Dosymzhan S

    2010-09-15

    Electron paramagnetic resonance and optical spectrophotometric studies have demonstrated that low-molecular dinitrosyl iron complexes (DNICs) with cysteine or glutathione exist in aqueous solutions in the form of paramagnetic mononuclear (capital EM, Cyrillic-DNICs) and diamagnetic binuclear complexes (B-DNICs). The latter represent Roussin's red salt esters and can be prepared by treatment of aqueous solutions of Fe(2+) and thiols (small er, Cyrilliccapital EN, Cyrillic 7.4) with gaseous nitric oxide (NO) at the thiol:Fe(2+) ratio 1:1. capital EM, Cyrillic-DNICs are synthesized under identical conditions at the thiol:Fe(2+) ratios above 20 and produce an EPR signal with an electronic configuration {Fe(NO)(2)}(7) at g(aver.)=2.03. At neutral pH, aqueous solutions contain both M-DNICs and B-DNICs (the content of the latter makes up to 50% of the total DNIC pool). The concentration of B-DNICs decreases with a rise in pH; at small er, Cyrilliccapital EN, Cyrillic 9-10, the solutions contain predominantly M-DNICs. The addition of thiol excess to aqueous solutions of B-DNICs synthesized at the thiol:Fe(2+) ratio 1:2 results in their conversion into capital EM, Cyrillic-DNICs, the total amount of iron incorporated into M-DNICs not exceeding 50% of the total iron pool in B-DNICs. Air bubbling of cys-capital EM, Cyrillic-DNIC solutions results in cysteine oxidation-controlled conversion of capital EM, Cyrillic-DNICs first into cys-B-DNICs and then into the EPR-silent compound capital HA, Cyrillic able to generate a strong absorption band at 278 nm. In the presence of glutathione or cysteine excess, compound capital HA, Cyrillic is converted into B-DNIC/M-DNIC and is completely decomposed under effect of the Fe(2+) chelator small o, Cyrillic-phenanthroline or N-methyl-d-glucamine dithiocarbamate (MGD). Moreover, MGD initiates the synthesis of paramagnetic mononitrosyl iron complexes with MGD. It is hypothesized that compound capital HA, Cyrillic represents a polynuclear

  5. Characterization of unsaturated hydraulic conductivity at the Hanford Site

    International Nuclear Information System (INIS)

    Rockhold, M.L.; Fayler, M.J.; Gee, G.W.

    1988-07-01

    This report details some recent field measurements and compares predicted and measured values of hydraulic conductivities for three locations at the Hanford Site. Measurements from small (6-cm-dia) /open quotes/point/close quotes/ and large (2-m by 2-m) /open quotes/plot/close quotes/ areas utilized inflitration and drainage techniques to obtain in situ data for field-saturated and unsaturated hydraulic conductivity. The Guelph permeameter was used for point sampling, and the unsteady drainage-flux method was used on plots for field-saturated and unsaturated hydraulic conductivity measurements. Steady-state techniques were used to measure unsaturated hydraulic conductivities in small columns in the laboratory for one of the three soils tested to provide a comparison with data obtained from the field. Measured unsaturated hydraulic conductivities and those predicted from particle-size distribution and bulk density data agree within one-half to one and one-half orders of magnitude, depending on soil type. To use a particle-size distribution to estimate water retention characteristics and, subsequently, to predict unsaturated hydraulic conductivities, measurements of water-retention characteristics are necessary to determine a parameter value used in one of the models. No single method for measuring or calculating unsaturated hydraulic conductivities was found appropriate for all Hanford Site soils. Ideally, several methods should be used to take advantage of the strengths of each method, considering the data needs and resources available. 45 refs., 24 figs., 19 tabs

  6. Characterization of unsaturated hydraulic conductivity at the Hanford Site

    Energy Technology Data Exchange (ETDEWEB)

    Rockhold, M.L.; Fayler, M.J.; Gee, G.W.

    1988-07-01

    This report details some recent field measurements and compares predicted and measured values of hydraulic conductivities for three locations at the Hanford Site. Measurements from small (6-cm-dia) /open quotes/point/close quotes/ and large (2-m by 2-m) /open quotes/plot/close quotes/ areas utilized inflitration and drainage techniques to obtain in situ data for field-saturated and unsaturated hydraulic conductivity. The Guelph permeameter was used for point sampling, and the unsteady drainage-flux method was used on plots for field-saturated and unsaturated hydraulic conductivity measurements. Steady-state techniques were used to measure unsaturated hydraulic conductivities in small columns in the laboratory for one of the three soils tested to provide a comparison with data obtained from the field. Measured unsaturated hydraulic conductivities and those predicted from particle-size distribution and bulk density data agree within one-half to one and one-half orders of magnitude, depending on soil type. To use a particle-size distribution to estimate water retention characteristics and, subsequently, to predict unsaturated hydraulic conductivities, measurements of water-retention characteristics are necessary to determine a parameter value used in one of the models. No single method for measuring or calculating unsaturated hydraulic conductivities was found appropriate for all Hanford Site soils. Ideally, several methods should be used to take advantage of the strengths of each method, considering the data needs and resources available. 45 refs., 24 figs., 19 tabs.

  7. RUN COORDINATION

    CERN Multimedia

    Christophe Delaere

    2013-01-01

    The focus of Run Coordination during LS1 is to monitor closely the advance of maintenance and upgrade activities, to smooth interactions between subsystems and to ensure that all are ready in time to resume operations in 2015 with a fully calibrated and understood detector. After electricity and cooling were restored to all equipment, at about the time of the last CMS week, recommissioning activities were resumed for all subsystems. On 7 October, DCS shifts began 24/7 to allow subsystems to remain on to facilitate operations. That culminated with the Global Run in November (GriN), which   took place as scheduled during the week of 4 November. The GriN has been the first centrally managed operation since the beginning of LS1, and involved all subdetectors but the Pixel Tracker presently in a lab upstairs. All nights were therefore dedicated to long stable runs with as many subdetectors as possible. Among the many achievements in that week, three items may be highlighted. First, the Strip...

  8. RUN COORDINATION

    CERN Multimedia

    C. Delaere

    2013-01-01

    Since the LHC ceased operations in February, a lot has been going on at Point 5, and Run Coordination continues to monitor closely the advance of maintenance and upgrade activities. In the last months, the Pixel detector was extracted and is now stored in the pixel lab in SX5; the beam pipe has been removed and ME1/1 removal has started. We regained access to the vactank and some work on the RBX of HB has started. Since mid-June, electricity and cooling are back in S1 and S2, allowing us to turn equipment back on, at least during the day. 24/7 shifts are not foreseen in the next weeks, and safety tours are mandatory to keep equipment on overnight, but re-commissioning activities are slowly being resumed. Given the (slight) delays accumulated in LS1, it was decided to merge the two global runs initially foreseen into a single exercise during the week of 4 November 2013. The aim of the global run is to check that we can run (parts of) CMS after several months switched off, with the new VME PCs installed, th...

  9. Unsaturated Zone Flow Patterns and Analysis

    Energy Technology Data Exchange (ETDEWEB)

    C. Ahlers

    2001-10-17

    This Analysis/Model Report (AMR) documents the development of an expected-case model for unsaturated zone (UZ) flow and transport that will be described in terms of the representativeness of models of the natural system. The expected-case model will provide an evaluation of the effectiveness of the natural barriers, assess the impact of conservatism in the Total System Performance Assessment (TSPA), and support the development of further models and analyses for public confidence building. The present models used in ''Total System Performance Assessment for the Site Recommendation'' (Civilian Radioactive Waste Management System Management and Operating Contractor (CRWMS M&O) 2000 [1532461]) underestimate the natural-barrier performance because of conservative assumptions and parameters and do not adequately address uncertainty and alternative models. The development of an expected case model for the UZ natural barrier addresses issues regarding flow-pattern analysis and modeling that had previously been treated conservatively. This is in line with the Repository Safety Strategy (RSS) philosophy of treating conservatively those aspects of the UZ flow and transport system that are not important for achieving regulatory dose (CRWMS M&O 2000 [153246], Section 1.1.1). The development of an expected case model for the UZ also provides defense-in-depth in areas requiring further analysis of uncertainty and alternative models. In general, the value of the conservative case is to provide a more easily defensible TSPA for behavior of UZ flow and transport processes at Yucca Mountain. This AMR has been prepared in accordance with the ''Technical Work Plan for Unsaturated Zone (UZ) Flow and Transport Process Model Report'' (Bechtel SAIC Company (BSC) 2001 [155051], Section 1.3 - Work Package 4301213UMG). The work scope is to examine the data and current models of flow and transport in the Yucca Mountain UZ to identify models and analyses

  10. Unsaturated Zone Flow Patterns and Analysis

    International Nuclear Information System (INIS)

    Ahlers, C.

    2001-01-01

    This Analysis/Model Report (AMR) documents the development of an expected-case model for unsaturated zone (UZ) flow and transport that will be described in terms of the representativeness of models of the natural system. The expected-case model will provide an evaluation of the effectiveness of the natural barriers, assess the impact of conservatism in the Total System Performance Assessment (TSPA), and support the development of further models and analyses for public confidence building. The present models used in ''Total System Performance Assessment for the Site Recommendation'' (Civilian Radioactive Waste Management System Management and Operating Contractor (CRWMS M and O) 2000 [1532461]) underestimate the natural-barrier performance because of conservative assumptions and parameters and do not adequately address uncertainty and alternative models. The development of an expected case model for the UZ natural barrier addresses issues regarding flow-pattern analysis and modeling that had previously been treated conservatively. This is in line with the Repository Safety Strategy (RSS) philosophy of treating conservatively those aspects of the UZ flow and transport system that are not important for achieving regulatory dose (CRWMS M and O 2000 [153246], Section 1.1.1). The development of an expected case model for the UZ also provides defense-in-depth in areas requiring further analysis of uncertainty and alternative models. In general, the value of the conservative case is to provide a more easily defensible TSPA for behavior of UZ flow and transport processes at Yucca Mountain. This AMR has been prepared in accordance with the ''Technical Work Plan for Unsaturated Zone (UZ) Flow and Transport Process Model Report'' (Bechtel SAIC Company (BSC) 2001 [155051], Section 1.3 - Work Package 4301213UMG). The work scope is to examine the data and current models of flow and transport in the Yucca Mountain UZ to identify models and analyses where conservatism may be

  11. Synthesis of rearranged unsaturated drimane derivatives

    Directory of Open Access Journals (Sweden)

    Miranda Domingos S. de

    2001-01-01

    Full Text Available A full account to the preparation and application of three appropriately substituted vinylcyclohexenes (2,2-dimethyl-3-vinylcyclohex-3-en-1-ol, 2,2-dimethyl-3-vinylcyclohex-3-en-1-one and 3,3-dimethyl-2-vinylcyclohexene in thermal Diels-Alder reactions with alpha,beta-unsaturated esters (methyl tiglate and methyl angelate is given. This approach delivered the racemic synthesis of ten octalin derivatives bearing a rearranged drimane skeleton (4 diastereomers of 1-methoxycarbonyl-6-hydroxy-1,2,5,5-tetramethyl-1,2,3,5,6,7, 8,8a-octahydronaphthalene; 1-methoxycarbonyl-6-oxo-1,2,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalene; 2-methoxycarbonyl-6-oxo-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalene; 3 diastereomers of 1-methoxycarbonyl-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalene and 2-methoxycarbonyl-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalene . Central synthetic features included preparation of enoltriflates by Stang's protocol and the successful palladium-catalyzed cross-coupling reaction (Stille reaction of the triflate with the tri-n-butylvinylstannane. The octalins relative stereochemistry was unequivocally ascertained by spectroscopic methods and/or X-ray crystallography and these data now stand as useful tools to support the correct assignment of related natural products usually isolated in minute amounts.

  12. Unsaturated zone investigation at the radioactive waste storage facility site

    Energy Technology Data Exchange (ETDEWEB)

    Skuratovic, Zana; Mazeika, Jonas; Petrosius, Rimantas; Jakimaviciute-Maseliene, Vaidote [Nature Research Centre, Akademijos St. 2, LT-08412, Vilnius (Lithuania); Klizas, Petras; Mokrik, Robert [Vilnius University, M.K. Ciurlionio St. 21/27, LT-03101 Vilnius (Lithuania)

    2014-07-01

    Unsaturated zone is an important part of water circulation cycle and an integral part of many hydrological and hydrogeological factors and processes. The soils of unsaturated zone are regarded as the first natural barrier to a large extent able to limit the spread of contaminants. Nuclear waste disposal site (Maisiagala radioactive waste storage facility site) was analysed in terms of the moisture movement through the unsaturated zone. Extensive data sets of the hydraulic properties, water content and isotope composition have been collected and summarized. The main experimental and observational tasks included the collection of soil samples; determination of the physical properties and the hydraulic conductivity values of soil samples, moisture extraction from the soil sample for isotopic studies; observation of the groundwater dynamics at the Maisiagala piezometer; groundwater sampling for isotopic analysis ({sup 3}H, {sup 18}O/{sup 16}O, {sup 2}H/{sup 1}H ); and monthly precipitation isotopic analysis. Distribution features of globally widespread radionuclide tritium ({sup 3}H) and the water molecule tracer isotopes in precipitation, unsaturated zone soil moisture profiles and groundwater were determined. It was used the well-known unsaturated flow and transport model of HYDRUS-1D (Simunek et al., 2008). In this study, van Genuchten equations for the retention and conductivity estimations have been used. The retention characteristics and van Genuchten model parameters were estimated internally by HYDRUS based on the empirical equations involved in the program. Basic inputs of the tritium transport simulation are the tritium input function and meteorological variables (precipitation and potential evapotranspiration). In order to validate the representativeness of the hydraulic parameters, the model has been used to estimate the tritium distribution in the unsaturated zone, which properly represents the dynamics of the unsaturated zone. The uniformity of the daily

  13. Waste migration in shallow burial sites under unsaturated flow conditions

    International Nuclear Information System (INIS)

    Eicholz, G.G.; Whang, J.

    1987-01-01

    Unsaturated conditions prevail in many shallow-land burial sites, both in arid and humid regions. Unless a burial site is allowed to flood and possibly overflow, a realistic assessment of any migration scenario must take into account the conditions of unsaturated flow. These are more difficult to observe and to model, but introduce significant changes into projected rates of waste leaching and waste migration. Column tests have been performed using soils from the Southeastern coastal plain to observe the effects of varying degrees of ''unsaturation'' on the movement of radioactive tracers. The moisture content in the columns was controlled by maintaining various levels of hydrostatic suction on soil columns whose hydrodynamic characteristics had been determined carefully. Tracer tests, employing Cs-137, I-131 and Ba-133 were used to determine migration profiles and to follow their movement down the column for different suction values. A calculational model has been developed for unsaturated flow and seems to match the observations fairly well. It is evident that a full description of migration processes must take into account the reduced migration rates under unsaturated conditions and the hysteresis effects associated with wetting-drying cycles

  14. Stochastic analysis of radionuclide migration in saturated-unsaturated soils

    International Nuclear Information System (INIS)

    Kawanishi, Moto

    1988-01-01

    In Japan, LLRW (low level radioactive wastes) generated from nuclear power plants shall be started to store concentrically in the Shimokita site from 1990, and those could be transformed into land disposal if the positive safety is confirmed. Therefore, it is hoped that the safety assessment method shall be successed for the land disposal of LLRW. In this study, a stochastic model to analyze the radionuclide migration in saturated-unsaturated soils was constructed. The principal results are summarized as follows. 1) We presented a generalized idea for the modeling of the radionuclide migration in saturated-unsaturated soils as an advective-dispersion phenomena followed by the decay of radionuclides and those adsorption/desorption in soils. 2) Based on the radionuclide migration model mentioned above, we developed a stochastic analysis model on radionuclide migration in saturated-unsaturated soils. 3) From the comparison between the simulated results and the exact solution on a few simple one-dimensional advective-dispersion problems of radionuclides, the good validity of this model was confirmed. 4) From the comparison between the simulated results by this model and the experimental results of radionuclide migration in a one-dimensional unsaturated soil column with rainfall, the good applicability was shown. 5) As the stochastic model such as this has several advantages that it is easily able to represent the image of physical phenomena and has basically no numerical dissipation, this model should be more applicable to the analysis of the complicated radionuclide migration in saturated-unsaturated soils. (author)

  15. Analysis of rainfall infiltration law in unsaturated soil slope.

    Science.gov (United States)

    Zhang, Gui-rong; Qian, Ya-jun; Wang, Zhang-chun; Zhao, Bo

    2014-01-01

    In the study of unsaturated soil slope stability under rainfall infiltration, it is worth continuing to explore how much rainfall infiltrates into the slope in a rain process, and the amount of rainfall infiltrating into slope is the important factor influencing the stability. Therefore, rainfall infiltration capacity is an important issue of unsaturated seepage analysis for slope. On the basis of previous studies, rainfall infiltration law of unsaturated soil slope is analyzed. Considering the characteristics of slope and rainfall, the key factors affecting rainfall infiltration of slope, including hydraulic properties, water storage capacity (θs - θr), soil types, rainfall intensities, and antecedent and subsequent infiltration rates on unsaturated soil slope, are discussed by using theory analysis and numerical simulation technology. Based on critical factors changing, this paper presents three calculation models of rainfall infiltrability for unsaturated slope, including (1) infiltration model considering rainfall intensity; (2) effective rainfall model considering antecedent rainfall; (3) infiltration model considering comprehensive factors. Based on the technology of system response, the relationship of rainfall and infiltration is described, and the prototype of regression model of rainfall infiltration is given, in order to determine the amount of rain penetration during a rain process.

  16. Repository site data report for unsaturated tuff, Yucca Mountain, Nevada

    International Nuclear Information System (INIS)

    Tien, P.L.; Updegraff, C.D.; Siegel, M.D.; Wahi, K.K.; Guzowski, R.V.

    1985-11-01

    The US Department of Energy is currently considering the thick sequences of unsaturated, fractured tuff at Yucca Mountain, on the southwestern boundary of the Nevada Test Site, as a possible candidate host rock for a nuclear-waste repository. Yucca Mountain is in one of the most arid areas in the United States. The site is within the south-central part of the Great Basin section of the Basin and Range physiographic province and is located near a number of silicic calderas of Tertiary age. Although localized zones of seismic activity are common throughout the province, and faults are present at Yucca Mountain, the site itself is basically aseismic. No data are available on the composition of ground water in the unsaturated zone at Yucca Mountain. It has been suggested that the composition is bounded by the compositions of water from wells USW-H3, UE25p-1, J-13, and snow or rain. There are relatively few data available from Yucca Mountain on the moisture content and saturation, hydraulic conductivity, and characteristic curves of the unsaturated zone. The available literature on thermomechanical properties of tuff does not always distinguish between data from the saturated zone and data from the unsaturated zone. Geochemical, hydrologic, and thermomechanical data available on the unsaturated tuffs of Yucca Mountain are tabulated in this report. Where the data are very sparse, they have been supplemented by data from the saturated zone or from areas other than Yucca Mountain. 316 refs., 58 figs., 37 tabs

  17. Repository site data report for unsaturated tuff, Yucca Mountain, Nevada

    Energy Technology Data Exchange (ETDEWEB)

    Tien, P.L.; Updegraff, C.D.; Siegel, M.D.; Wahi, K.K.; Guzowski, R.V.

    1985-11-01

    The US Department of Energy is currently considering the thick sequences of unsaturated, fractured tuff at Yucca Mountain, on the southwestern boundary of the Nevada Test Site, as a possible candidate host rock for a nuclear-waste repository. Yucca Mountain is in one of the most arid areas in the United States. The site is within the south-central part of the Great Basin section of the Basin and Range physiographic province and is located near a number of silicic calderas of Tertiary age. Although localized zones of seismic activity are common throughout the province, and faults are present at Yucca Mountain, the site itself is basically aseismic. No data are available on the composition of ground water in the unsaturated zone at Yucca Mountain. It has been suggested that the composition is bounded by the compositions of water from wells USW-H3, UE25p-1, J-13, and snow or rain. There are relatively few data available from Yucca Mountain on the moisture content and saturation, hydraulic conductivity, and characteristic curves of the unsaturated zone. The available literature on thermomechanical properties of tuff does not always distinguish between data from the saturated zone and data from the unsaturated zone. Geochemical, hydrologic, and thermomechanical data available on the unsaturated tuffs of Yucca Mountain are tabulated in this report. Where the data are very sparse, they have been supplemented by data from the saturated zone or from areas other than Yucca Mountain. 316 refs., 58 figs., 37 tabs.

  18. A framework for the behaviour of unsaturated expansive clays

    International Nuclear Information System (INIS)

    Gens, A.; Alonso, E.E.

    1992-01-01

    The paper presents a framework for describing the mechanical behaviour of unsaturated expansive clays. It is an extension of an existing formulation developed for unsaturated soils of low activity. The extended framework is based on the distinction within the material of a microstructural level where the basic swelling of the active minerals takes place, and a macrostructural level responsible for major structural rearrangements. Bu adopting simple assumptions concerning the coupling between the two levels, it is possible to reproduce major features of the behaviour of unsaturated expansive clays. Some selected qualitative comparisons between model predictions and experimental results reported in the literature are presented. Despite the simplified hypotheses made, a very encouraging agreement is obtained

  19. Second European Conference on Unsaturated Soils, E-UNSAT 2012

    CERN Document Server

    Jommi, Cristina; D’Onza, Francesca; Unsaturated Soils: Research and Applications

    2012-01-01

    These volumes contain the contributions to the Second European Conference on Unsaturated Soils, E-UNSAT 2012, held in Napoli, Italy, in June 2012. The event is the second of a series of European conferences, and follows the first successful one, organised in Durham, UK, in 2008. The conference series is supported by Technical Committee 106 of the International Society of Soil Mechanics and Geotechnical Engineering on Unsaturated Soils. The published contributions were selected after a careful peer-review process. A collection of more than one hundred papers is included, addressing the three thematic areas experimental, including advances in testing techniques and soil behaviour, modelling, covering theoretical and constitutive issues together with numerical and physical modelling, and engineering, focusing on approaches, case histories and geo-environmental themes. The areas of application of the papers embrace most of the geotechnical problems related to unsaturated soils. Increasing interest in geo-environm...

  20. Electrokinetic remediation of anionic contaminants from unsaturated soils

    International Nuclear Information System (INIS)

    Lindgren, E.R.; Kozak, M.W.; Mattson, E.D.

    1992-01-01

    Heavy-metal contamination of soil and groundwater is a widespread problem in the DOE weapons complex, and for the nation as a whole. Electrokinetic remediation is one possible technique for in situ removal of such contaminants from unsaturated soils. In previous studies at Sandia National Laboratories, the electromigration of chromate ions and anionic dye ions have been demonstrated. This paper reports on a series of experiments that were conducted to study the effect of moisture content on the electromigration rate of anionic contaminants in unsaturated soil and determine the limiting moisture content for which electromigration occurs

  1. Process for making unsaturated hydrocarbons using microchannel process technology

    Science.gov (United States)

    Tonkovich, Anna Lee [Dublin, OH; Yuschak, Thomas [Lewis Center, OH; LaPlante, Timothy J [Columbus, OH; Rankin, Scott [Columbus, OH; Perry, Steven T [Galloway, OH; Fitzgerald, Sean Patrick [Columbus, OH; Simmons, Wayne W [Dublin, OH; Mazanec, Terry Daymo, Eric

    2011-04-12

    The disclosed invention relates to a process for converting a feed composition comprising one or more hydrocarbons to a product comprising one or more unsaturated hydrocarbons, the process comprising: flowing the feed composition and steam in contact with each other in a microchannel reactor at a temperature in the range from about 200.degree. C. to about 1200.degree. C. to convert the feed composition to the product, the process being characterized by the absence of catalyst for converting the one or more hydrocarbons to one or more unsaturated hydrocarbons. Hydrogen and/or oxygen may be combined with the feed composition and steam.

  2. Visualization of microscale phase displacement proceses in retention and outflow experiments: nonuniquensess of unsaturated flow properties

    DEFF Research Database (Denmark)

    Mortensen, Annette Pia; Glass, R.J.; Hollenbeck, K.J.

    2001-01-01

    -scale heterogeneities. Because the mixture of these microscale processes yields macroscale effective behavior, measured unsaturated flow properties are also a function of these controls. Such results suggest limitations on the current definitions and uniqueness of unsaturated hydraulic properties....

  3. Unsaturated Fatty Acid Esters Metathesis Catalyzed by Silica Supported WMe5

    KAUST Repository

    Riache, Nassima; Callens, Emmanuel; Talbi, Karima; Basset, Jean-Marie

    2015-01-01

    Metathesis of unsaturated fatty acid esters (FAEs) by silica supported multifunctional W-based catalyst is disclosed. This transformation represents a novel route towards unsaturated di-esters. Especially, the self-metathesis of ethyl undecylenate

  4. Unsaturated soil moisture drying and wetting diffusion coefficient measurements in the laboratory.

    Science.gov (United States)

    2009-09-01

    ABSTRACTTransient moisture flow in an unsaturated soil in response to suction changes is controlled by the unsaturated moisture diffusion coefficient. The moisture diffusion coefficient can be determined by measuring suction profiles over time. The l...

  5. Modification of unsaturated polyester resins using nano-size core ...

    African Journals Online (AJOL)

    Modification of unsaturated polyester resins using nano-size core-shell particles. MO Munyati, PA Lovell. Abstract. No Abstract Available Journal of Science and Technology Special Edition 2004: 24-31. Full Text: EMAIL FULL TEXT EMAIL FULL TEXT · DOWNLOAD FULL TEXT DOWNLOAD FULL TEXT.

  6. SYNTHESIS OF 2,3-UNSATURATED FURANIC HEX- AND PENT ...

    African Journals Online (AJOL)

    a

    [12] and reduction in two steps of 3-(2-furyl)-acrolein[13] in good yields. The reaction of alcohols 2a-e with glucal 1, carried out in presence of boron trifluoride [7]. (method A), ferric chloride [11] (method B) and CAN [10] (method C), afforded the corresponding 2,3-unsaturated glucopyranosides 3a-e (Table 1). Table 1.

  7. Beaded Fiber Mats of PVA Containing Unsaturated Heteropoly Salt

    Institute of Scientific and Technical Information of China (English)

    Guo Cheng YANG; Yan PAN; Jian GONG; Chang Lu SHAO; Shang Bin WEN; Chen SHAO; Lun Yu QU

    2004-01-01

    Poly(vinyl alcohol) (PVA) fiber mats containing unsaturated heteropoly salt was prepared for the first time. IR, X-ray diffraction and SEM photographs characterized the beaded fiber mats.The viscoelasticity and the conductivity of the solution were the key factors that influence the formation of the beaded fiber mats.

  8. Effect Of Intraruminal Infussion Of Saturated And Unsaturated Fatty ...

    African Journals Online (AJOL)

    This study describes the effect of intraruminal infusion of diferent proportions of palmitic (saturated fatty acid) and linolenic (unsaturated fatty acid) on rumen degradability of organic matter fraction of Pennisetium purpureum, total volatile fatty acid and total methane productions in West African Dwarf sheep. Five combination ...

  9. Fe-Catalyzed Oxidative Cleavage of Unsaturated Fatty Acids

    NARCIS (Netherlands)

    Spannring, P.

    2013-01-01

    The oxidative cleavage of unsaturated fatty acids into aldehydes or carboxylic acids gives access to valuable products. The products can be used as chemical building blocks, as emulsifiers or in the paint or polymer industry. Ozonolysis is applied industrially to cleave the fatty acid oleic acid

  10. Unsaturated and Saturated Permeabilities of Fiber Reinforcement: Critics and Suggestions

    Directory of Open Access Journals (Sweden)

    Chung Hae ePARK

    2015-04-01

    Full Text Available In general, permeability measurement results show a strong scattering according to the measurement method, the type of test fluid and the fluid injection condition, even though permeability is regarded as a unique property of porous medium. In particular, the discrepancy between the unsaturated and saturated permeabilities for the same fabric has been widely reported. In the literature, relative permeability has been adopted to model the unsaturated flow. This approach has some limits in the modeling of double-scale porosity medium. We address this issue of permeability measurement by rigorously examining the mass conservation condition. Finally, we identify that the pressure gradient is non-linear with positive curvature in the unsaturated flow and a misinterpretation of pressure gradient is the main reason for the difference between the saturated and unsaturated permeabilities of the same fiber reinforcement. We propose to use a fixed value of permeability and to modify the mass conservation equation if there are air voids which are entrapped inside the fiber tow. Finally, we also suggest some guidelines and future perspectives to obtain more consistent permeability measurement results.

  11. Review of Upscaling Methods for Describing Unsaturated Flow

    Energy Technology Data Exchange (ETDEWEB)

    Wood, Brian D.

    2000-09-26

    Representing samll-scale features can be a challenge when one wants to model unsaturated flow in large domains. In this report, the various upscaling techniques are reviewed. The following upscaling methods have been identified from the literature: stochastic methods, renormalization methods, volume averaging and homogenization methods. In addition, a final technique, full resolution numerical modeling, is also discussed.

  12. Low temperature irradiation of vitrifiable mixtures of unsaturated monomers

    International Nuclear Information System (INIS)

    Kaetsu, I.; Ito, A.; Hayashi, K.

    1975-01-01

    A specific mixture containing at least one polymerizable unsaturated monomer which is not vitrifiable by itself can advantageously be polymerized by irradiating the mixture at a temperature not higher than 100 0 C above glass transition temperature of the mixture with an ionizing radiation and/or a light. 12 claims, 6 drawings, figures

  13. Numerical convergence improvements for porflow unsaturated flow simulations

    Energy Technology Data Exchange (ETDEWEB)

    Flach, Greg [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2017-08-14

    Section 3.6 of SRNL (2016) discusses various PORFLOW code improvements to increase modeling efficiency, in preparation for the next E-Area Performance Assessment (WSRC 2008) revision. This memorandum documents interaction with Analytic & Computational Research, Inc. (http://www.acricfd.com/default.htm) to improve numerical convergence efficiency using PORFLOW version 6.42 for unsaturated flow simulations.

  14. ENGINEERING ISSUE: IN SITU BIOREMEDIATION OF CONTAMINATED UNSATURATED SUBSURFACE SOILS

    Science.gov (United States)

    An emerging technology for the remediation of unsaturated subsurface soils involves the use of microorganisms to degrade contaminants which are present in such soils. Understanding the processes which drive in situ bioremediation, as well as the effectiveness and efficiency of th...

  15. Movement of pentachlorophenol in unsaturated soil by electrokinetics

    Energy Technology Data Exchange (ETDEWEB)

    Harbottle, M.; Sills, G. [Dept. of Engineering Science, Oxford (United Kingdom); Jackman, S. [Dept. of Engineering Science, Oxford (United Kingdom)]|[NERC Centre for Ecology and Hydrology, Oxford (United Kingdom); Thompson, I. [NERC Centre for Ecology and Hydrology, Oxford (United Kingdom)

    2001-07-01

    Electrokinetic experiments have been performed on unsaturated natural soil specimens artificially contaminated with pentachlorophenol. Movement of pentachlorophenol within the soil mass has been demonstrated, but no contaminant was discovered in any effluent fluids. The results indicate that it may be possible to improve the bioavailability of the pollutant to degradative microorganisms using electrokinetics, by moving the chemical and microbes relative to each others. (orig.)

  16. The synthesis of some unsaturated 4-substituted-g-lactones

    Directory of Open Access Journals (Sweden)

    SUREN HUSINEC

    2000-02-01

    Full Text Available The synthesis of conjugated and nonconjugated unsaturated 4-substituted lactones of type 1 and 2 are described. The type 1 lactone was prepared by a two step procedure employing Bredereck's reagent. The type 2 lactone was synthesised by combining the Claisen-Ireland rearrangement and selenolactonisation.

  17. Uncertainty analyses of unsaturated zone travel time at Yucca Mountain

    International Nuclear Information System (INIS)

    Nichols, W.E.; Freshley, M.D.

    1993-01-01

    Uncertainty analysis method can be applied to numerical models of ground-water flow to estimate the relative importance of physical and hydrologic input variables with respect to ground-water travel time. Monte Carlo numerical simulations of unsaturated flow in the Calico Hills nonwelded zeolitic (CHnz) layer at Yucca Mountain, Nevada, indicate that variability in recharge, and to a lesser extent in matrix porosity, explains most of the variability in predictions of water travel time through the unsaturated zone. Variations in saturated hydraulic conductivity and unsaturated curve-fitting parameters were not statistically significant in explaining variability in water travel time through the unsaturated CHnz unit. The results of this study suggest that the large uncertainty associated with recharge rate estimates for the Yucca Mountain site is of concern because the performance of the potential repository would be more sensitive to uncertainty in recharge than to any other parameter evaluated. These results are not exhaustive because of the limited site characterization data available and because of the preliminary nature of this study, which is limited to a single stratigraphic unit, one dimension, and does not account for fracture flow or other potential fast pathways at Yucca Mountain

  18. Transport of citrate-coated silver nanoparticles in unsaturated sand

    Energy Technology Data Exchange (ETDEWEB)

    Kumahor, Samuel K., E-mail: samuel.kumahor@ufz.de [Department of Soil Physics, Helmholtz Centre for Environmental Research–UFZ, Theodor-Lieser-Strasse 4, 06120 Halle-Saale (Germany); Hron, Pavel, E-mail: pavel.hron@iwr.uni-heidelberg.de [Interdisciplinary Center for Scientific Computing, University of Heidelberg, Im Neuenheimer Feld 368, Raum 422, 69120 Heidelberg (Germany); Metreveli, George, E-mail: metreveli@uni-landau.de [Universität Koblenz-Landau, Institute for Environmental Sciences, Group of Environmental and Soil Chemistry, Fortstr. 7, D-76829 Landau (Germany); Schaumann, Gabriele E., E-mail: schaumann@uni-landau.de [Universität Koblenz-Landau, Institute for Environmental Sciences, Group of Environmental and Soil Chemistry, Fortstr. 7, D-76829 Landau (Germany); Vogel, Hans-Jörg, E-mail: hans-joerg.vogel@ufz.de [Department of Soil Physics, Helmholtz Centre for Environmental Research–UFZ, Theodor-Lieser-Strasse 4, 06120 Halle-Saale (Germany); Institute of Soil Science and Plant Nutrition, Martin-Luther-University Halle-Wittenberg, Von-Seckendorff-Platz 3, 06120 Halle-Saale (Germany)

    2015-12-01

    Chemical factors and physical constraints lead to coupled effects during particle transport in unsaturated porous media. Studies on unsaturated transport as typical for soils are currently scarce. In unsaturated porous media, particle mobility is determined by the existence of an air–water interface in addition to a solid–water interface. To this end, we measured breakthrough curves and retention profiles of citrate-coated Ag nanoparticles in unsaturated sand at two pH values (5 and 9) and three different flow rates corresponding to different water contents with 1 mM KNO{sub 3} as background electrolyte. The classical DLVO theory suggests unfavorable deposition conditions at the air–water and solid–water interfaces. The breakthrough curves indicate modification in curve shapes and retardation of nanoparticles compared to inert solute. Retention profiles show sensitivity to flow rate and pH and this ranged from almost no retention for the highest flow rate at pH = 9 to almost complete retention for the lowest flow rate at pH = 5. Modeling of the breakthrough curves, thus, required coupling two parallel processes: a kinetically controlled attachment process far from equilibrium, responsible for the shape modification, and an equilibrium sorption, responsible for particle retardation. The non-equilibrium process and equilibrium sorption are suggested to relate to the solid–water and air–water interfaces, respectively. This is supported by the DLVO model extended for hydrophobic interactions which suggests reversible attachment, characterized by a secondary minimum (depth 3–5 kT) and a repulsive barrier at the air–water interface. In contrast, the solid–water interface is characterized by a significant repulsive barrier and the absence of a secondary minimum suggesting kinetically controlled and non-equilibrium interaction. This study provides new insights into particle transport in unsaturated porous media and offers a model concept representing the

  19. Transport of citrate-coated silver nanoparticles in unsaturated sand

    Science.gov (United States)

    Kumahor, Samuel; Hron, Pavel; Metreveli, George; Schaumann, Gabriele; Vogel, Hans-Jörg

    2015-04-01

    Chemical factors and physical constraints lead to coupled effects during particle transport in unsaturated porous media. Unlike for saturated transport, studies on unsaturated transport as typical for soil are currently scarce. We investigated the mobility of citrate-coated Ag NPs in unsaturated sand (grain diameter: 0.1-0.3 mm). For three flux rates and a given pore-water ionic strength (1 mM KNO3), the citrate-coated Ag NPs were less mobile at pH = 5 compared to pH = 9. The classic Derjaguin-Landau-Verwey-Overbeek (DLVO) theory suggests unfavorable deposition conditions at both, the air-water interface and solid-water interface. Breakthrough curves measured under quasi-steady state unsaturated flow showed retardation of the citrate-coated Ag NPs compared to inert solute (KBr). After flushing with nanoparticle-free 1 mM KNO3 solution (pH-adjusted), retention was much lower in deeper depths compared to the surface where the particles entered the flow field. The results show a non-linear dependence of nanoparticle (NP) mobility on flux rate and water content. Especially the observed retardation similar to equilibrium sorption is in contrast to observations under saturated flow conditions. A convection-dispersion and reaction model that combines a reversible equilibrium process and a non-equilibrium interaction process reproduced the measured breakthrough curves reasonably well. From comparison between saturated and unsaturated experiments we conclude that the air-water interface is responsible for the reversible equilibrium process while the water-solid interface accounts for irreversible soption.

  20. Groundwater recharge dynamics in unsaturated fractured chalk: a case study

    Science.gov (United States)

    Cherubini, Claudia; Pastore, Nicola; Giasi, Concetta I.; Allegretti, Nicolaetta M.

    2016-04-01

    The heterogeneity of the unsaturated zone controls its hydraulic response to rainfall and the extent to which pollutants are delayed or attenuated before reaching groundwater. It plays therefore a very important role in the recharge of aquifers and the transfer of pollutants because of the presence of temporary storage zones and preferential flows. A better knowledge of the physical processes in the unsaturated zone would allow an improved assessment of the natural recharge in a heterogeneous aquifer and of its vulnerability to surface-applied pollution. The case study regards the role of the thick unsaturated zone of the Cretaceous chalk aquifer in Picardy (North of France) that controls the hydraulic response to rainfall. In the North Paris Basin, much of the recharge must pass through a regional chalk bed that is composed of a porous matrix with embedded fractures. Different types of conceptual models have been formulated to explain infiltration and recharge processes in the unsaturated fractured rock. The present study analyses the episodic recharge in fractured Chalk aquifer using the kinematic diffusion theory to predict water table fluctuation in response to rainfall. From an analysis of the data, there is the evidence of 1) a seasonal behavior characterized by a constant increase in the water level during the winter/spring period and a recession period, 2) a series of episodic behaviors during the summer/autumn. Kinematic diffusion models are useful for predict preferential fluxes and dynamic conditions. The presented approach conceptualizes the unsaturated flow as a combination of 1) diffusive flow refers to the idealized portion of the pore space of the medium within the flow rate is driven essentially by local gradient of potential; 2) preferential flow by which water moves across macroscopic distances through conduits of macropore length.

  1. Studies on the applicability of biomarkers in estimating the systematic bioavailability of polynuclear aromatic hydrocarbons from manufactured gas plant tar-contaminated soils

    International Nuclear Information System (INIS)

    Koganti, A.; Spina, D.A.; Rozett, K.; Ma, B.-L.; Weyand, E.; Taylor, B.B.; Mauro, D.M.

    1998-01-01

    The systematic bioavailability of polynuclear aromatic hydrocarbons (PAH) from ingested soils containing manufactured gas plant (MGP) tar was evaluated in mice. Soil and organic extract of each soil were incorporated into a diet and fed to mice for two weeks. 1-Hydroxypyrene levels in urine and chemical:DNA adduct levels in lungs were used as biomarkers of PAH systematic bioavailability. Estimates of PAH relative bioavailability were determined by comparing the bioavailability observed between each soil and corresponding organic extract. In all but one case, bioavailiablity estimates based on 1-hydroxypyrene levels in urine indicate that the presence of MGP tar on soil results in a considerable decrease in PAH systemic bioavailablity (9-75%). Similarly, PAH bioavailability estimates based on chemical:DNA adduct formation ranged from nondetectable to 76%. These results clearly indicate that the bioavailiablity of PAH is less than 100% when soil contaminated with MGP tar is ingested by nice. In addition, the experimental methods employed in this study appear suitable for evaluating the effects of soil on the gastrointestinal absorption and systemic bioavailability of PAH from soil containing complex organic mixtures. 44 refs., 1 fig., 5 tabs

  2. An evaluation of naturally occurring levels of polynuclear aromatic hydrocarbons in a small city and the impact on clean-up criteria and risk assessment - a case study

    Energy Technology Data Exchange (ETDEWEB)

    Cramer, C.A.; Lund, K.D. [Geraghty & Miller, Inc., Novi, MI (United States)

    1995-12-31

    Geraghty & Miller, Inc. conducted an investigation of potential manufactured gas plant (MGP) impacts at a site in a small city in the midwestern United States. Published literature pertaining to polynuclear aromatic hydrocarbon (PAH) levels in surface soils in urban environments has focused mainly on large historically urban areas. As a result, it has been difficult to correlate PAH levels encountered in surface soils during evaluations of MGP sites to typical urban background levels. An investigation completed by Geraghty & Miller of an MGP site in a city with a population of approximately 40 000 has shown that background levels of PAHs can range from non-detectable levels to as high as 44 milligrams/kilogram (mg/kg). The detailed surface-soil evaluation was necessary because a portion of the former MGP property is currently a residential apartment complex and is used as a playground for an elementary school. The regulatory agency required characterization of surface soils for MGP-indicator parameters such as PAHs, metals, cyanide, and volatile organics such as benzene, toluene, ethylbenzene, and xylenes (BTEX). Although the levels of total PAHs ranged as high as 31.5 mg/kg, Geraghty & Miller`s experience with similar sites suggested that the detected levels were likely indicative of urban background conditions. Many of the PAHs in urban soils are from recent activities not old industries. Before soil remediation current pollution sources should be checked.

  3. Treatability and scale-up protocols for polynuclear aromatic hydrocarbon bioremediation of manufactured-gas-plant soils. Final report, September 1987-July 1991

    International Nuclear Information System (INIS)

    Blackburn, J.W.; DiGrazia, P.M.; Sanseverino, J.

    1991-07-01

    The report describes activities to develop a framework to reliably scale-up and apply challenging bioremediation processes to polynuclear aromatic hydrocarbons in Manufactured Gas Plant (MGP) soils. It includes: a discussion of the accuracy needed for competitive application of bioremediation; a framework and examples for treatability and scale-up protocols for selection, design and application of these processes; both batch and continuous testing protocols for developing predictive rate data; and special predictive relationships that may be used in process selection/scale-up. The work, coupled with subsequent work (as recommended) to develop an MGP soil desorption/diffusion protocol and new scale-up methods, and with subsequent scale-up testing should lead to the capability for improved selection of MGP sites for bioremediation and improved performance, success, and reliability of field applications. With this greater predictive reliability, bioremediation will be used more often in the field on the most favorable applications and its cost advantages over other remediation options will be realized

  4. Photochemical activation and reactivity of polynuclear transition-metal-complex molecules. Progress report, June 1981-May 31, 1982

    International Nuclear Information System (INIS)

    Endicott, J.F.; Lintvedt, R.L.

    1982-01-01

    Significant results obtained during the year are summarized for the following programs: (1) reversible, two electron transfer at a single potential in binuclear complexes; (2) photophysics of polyketonate complexes; (3) synthetic strategies and characterization of heavy metal heterobinuclear complexes; (4) high yield synthesis of ligands capable of binding 3 and 4 metal ions per molecule. Electrochemical studies have uncovered a number of new binuclear metal complexes that undergo reversible two-electron reduction at single potential including Cu(II) complexes with two different coordination environments, mixed Ni(II), Cu(II) complexes and binuclear Ni(II) complexes. In each case the species that exhibit these electron transfer properties have been shown to be Na + ion-paired complexes. Several new trinuclear molecular complexes have been prepared and characterized that contain two UO 2 2+ ions and one transition metal ion. The electrochemistry, absorption spectra, and luminescence have been investigated

  5. Investigating Unsaturated Zone Travel Times with Tritium and Stable Isotopes

    Science.gov (United States)

    Visser, A.; Thaw, M.; Van der Velde, Y.

    2017-12-01

    Travel times in the unsaturated zone are notoriously difficult to assess. Travel time tracers relying on the conservative transport of dissolved (noble) gases (tritium-helium, CFCs or SF6) are not applicable. Large water volume requirements of other cosmogenic radioactive isotopes (sulfur-35, sodium-22) preclude application in the unsaturated zone. Prior investigations have relied on models, introduced tracers, profiles of stable isotopes or tritium, or a combination of these techniques. Significant unsaturated zone travel times (UZTT) complicate the interpretation of stream water travel time tracers by ranked StorAge Selection (rSAS) functions. Close examination of rSAS functions in a sloping soil lysimeter[1] show the effect of the UZTT on the shape of the rSAS cumulative distribution function. We studied the UZTT at the Southern Sierra Critical Zone Observatory (SS-CZO) using profiles of tritium and stable isotopes (18O and 2H) in the unsaturated zone, supported by soil water content data. Tritium analyses require 100-500 mL of soil water and therefore large soil samples (1-5L), and elaborate laboratory procedures (oven drying, degassing and noble gas mass spectrometry). The high seasonal and interannual variability in precipitation of the Mediterranean climate, variable snow pack and high annual ET/P ratios lead to a dynamic hydrology in the deep unsaturated soils and regolith and highly variable travel time distributions. Variability of the tritium concentration in precipitation further complicates direct age estimates. Observed tritium profiles (>3 m deep) are interpreted in terms of advective and dispersive vertical transport of the input variability and radioactive decay of tritium. Significant unsaturated zone travel times corroborate previously observed low activities of short-lived cosmogenic radioactive nuclides in stream water. Under these conditions, incorporating the UZTT is critical to adequately reconstruct stream water travel time distributions. 1

  6. Changes of the water isotopic composition in unsaturated soils

    International Nuclear Information System (INIS)

    Feurdean, Victor; Feurdean, Lucia

    2001-01-01

    Based on the spatial and temporal variations of the stable isotope content in precipitation - as input in subsurface - and the mixing processes, the deuterium content in the water that moves in unsaturated zones was used to determine the most conducive season to recharge, the mechanisms for infiltration of snow or rain precipitation in humid, semi-arid or arid conditions, the episodic cycles of infiltration water mixing with the already present soil water and water vapor and whether infiltration water is or is not from local precipitation. Oscillations in the isotopic profiles of soil moisture can be used to estimate the following aspects: where piston or diffusive flow is the dominant mechanisms of water infiltration; the average velocities of the water movement in vadose zone; the influence of vegetation cover, soil type and slope exposure on the dynamics of water movement in soil; the conditions required for infiltration such as: the matrix, gravity, pressure and osmotic potentials during drainage in unsaturated soil. (authors)

  7. Simulation of groundwater flows in unsaturated porous media

    International Nuclear Information System (INIS)

    Musy, A.

    1976-01-01

    Groundwater flow in unsaturated porous media is caused by a potential gradient where the total potential consists of the sum of a gravitational and a suction component. The partial differential equations which result from the general analysis of groundwater flow in unsaturated soil are solved by succesive approximations with the finite-element method. General boundary and initial conditions, linear or curvilinear shaped elements (isoparametric elements) and steady-state or transient flow can be introduced into the numerical computer program. The results of this mathematical model are compared with experimental data established in the laboratory with a physical groundwater model. This is a rectangular testing tank of dimension 3 x 1.5 x 0.15 m and contains a silty clay loam. The variation of the bulk density and the volumetric moisture of the soil as a function of time and space are measured by gamma absorption from a 137 Cs source with 300 mCi intensity

  8. Thermal conductivity measurements in unsaturated hydrate-bearing sediments

    Science.gov (United States)

    Dai, Sheng; Cha, Jong-Ho; Rosenbaum, Eilis J.; Zhang, Wu; Seol, Yongkoo

    2015-08-01

    Current database on the thermal properties of hydrate-bearing sediments remains limited and has not been able to capture their consequential changes during gas production where vigorous phase changes occur in this unsaturated system. This study uses the transient plane source (TPS) technique to measure the thermal conductivity of methane hydrate-bearing sediments with various hydrate/water/gas saturations. We propose a simplified method to obtain thermal properties from single-sided TPS signatures. Results reveal that both volume fraction and distribution of the pore constituents govern the thermal conductivity of unsaturated specimens. Thermal conductivity hysteresis is observed due to water redistribution and fabric change caused by hydrate formation and dissociation. Measured thermal conductivity increases evidently when hydrate saturation Sh > 30-40%, shifting upward from the geometric mean model prediction to a Pythagorean mixing model. These observations envisage a significant drop in sediment thermal conductivity when residual hydrate/water saturation falls below ~40%, hindering further gas production.

  9. Electrokinetic remediation of anionic contamination from unsaturated soil: Field application

    International Nuclear Information System (INIS)

    Lindgren, E.R.; Mattson, E.D.

    1995-01-01

    Electrokinetic remediation is an in situ technique under development at Sandia National Laboratories for removal of ionic contaminants from soil. While to date most other studies of this technique have focused on saturated soils, usually clays, the work at Sandia has been to extend the process to unsaturated sandy soils typical of arid regions. The impetus for this study is a chromate plume located beneath an old Sandia chemical waste landfill. Working in unsaturated soils is complicated by moisture control requirements, both to prevent undesired hydraulic transport of contamination outside the treatment zone and to optimize soil properties for efficient electrokinetic remediation. Two field tests will be discussed. First, a field test in clean soil is in progress to demonstrate moisture control with the Sandia electrode system. The second field demonstration, planned to begin the Fall of 1995, involves chromate removal from a in a chemical waste landfill

  10. AN ACTIVE FRACTURE MODEL FOR UNSATURATED FLOW AND TRANSPORT

    International Nuclear Information System (INIS)

    HUI-HAI LIU, GUDMUNDUR S. BODVARSSON AND CHRISTINE DOUGHTY

    1999-01-01

    Fracture/matrix (F/M) interaction is a key factor affecting flow and transport in unsaturated fractured rocks. In classic continuum approaches (Warren and Root, 1963), it is assumed that flow occurs through all the connected fractures and is uniformly distributed over the entire fracture area, which generally gives a relatively large F/M interaction. However, fractures seem to have limited interaction with the surrounding matrix at Yucca Mountain, Nevada, as suggested by geochemical nonequilibrium between the perched water (resulting mainly from fracture flow) and pore water in the rock matrix. Because of the importance of the F/M interaction and related issues, there is a critical need to develop new approaches to accurately consider the interaction reduction inferred from field data at the Yucca Mountain site. Motivated by this consideration, they have developed an active fracture model based on the hypothesis that not all connected fractures actively conduct water in unsaturated fractured rocks

  11. CAPILLARY BARRIERS IN UNSATURATED FRACTURED ROCKS OF YUCCA MOUNTAIN, NEVADA

    International Nuclear Information System (INIS)

    Wu, Y.S.; Zhang, W.; Pan, L.; Hinds, J.; Bodvarsson, G.

    2000-01-01

    This work presents modeling studies investigating the effects of capillary barriers on fluid-flow and tracer-transport processes in the unsaturated zone of Yucca Mountain, Nevada, a potential site for storing high-level radioactive waste. These studies are designed to identify factors controlling the formation of capillary barriers and to estimate their effects on the extent of possible large-scale lateral flow in unsaturated fracture rocks. The modeling approach is based on a continuum formulation of coupled multiphase fluid and tracer transport through fractured porous rock. Flow processes in fractured porous rock are described using a dual-continuum concept. In addition, approximate analytical solutions are developed and used for assessing capillary-barrier effects in fractured rocks. This study indicates that under the current hydrogeologic conceptualization of Yucca Mountain, strong capillary-barrier effects exist for significantly diverting moisture flow

  12. Volatile organic compounds in the unsaturated zone from radioactive wastes

    Science.gov (United States)

    Baker, Ronald J.; Andraski, Brian J.; Stonestrom, David A.; Luo, Wentai

    2012-01-01

    Volatile organic compounds (VOCs) are often comingled with low-level radioactive wastes (LLRW), but little is known about subsurface VOC emanations from LLRW landfills. The current study systematically quantified VOCs associated with LLRW over an 11-yr period at the USGS Amargosa Desert Research Site (ADRS) in southwestern Nevada. Unsaturated-zone gas samples of VOCs were collected by adsorption on resin cartridges and analyzed by thermal desorption and GC/MS. Sixty of 87 VOC method analytes were detected in the 110-m-thick unsaturated zone surrounding a LLRW disposal facility. Chlorofluorocarbons (CFCs) were detected in 100% of samples collected. Chlorofluorocarbons are powerful greenhouse gases, deplete stratospheric ozone, and are likely released from LLRW facilities worldwide. Soil-gas samples collected from a depth of 24 m and a horizontal distance 100 m south of the nearest waste-disposal trench contained >60,000 ppbv total VOCs, including >37,000 ppbv CFCs. Extensive sampling in the shallow unsaturated zone (0–2 m deep) identified areas where total VOC concentrations exceeded 5000 ppbv at the 1.5-m depth. Volatile organic compound concentrations exceeded background levels up to 300 m from the facility. Maximum vertical diffusive fluxes of total VOCs were estimated to be 1 g m-2 yr-1. Volatile organic compound distributions were similar but not identical to those previously determined for tritium and elemental mercury. To our knowledge, this study is the first to characterize the unsaturated zone distribution of VOCs emanating from a LLRW landfill. Our results may help explain anomalous transport of radionuclides at the ADRS and elsewhere.

  13. Stereoselective synthesis of unsaturated α-amino acids.

    Science.gov (United States)

    Fanelli, Roberto; Jeanne-Julien, Louis; René, Adeline; Martinez, Jean; Cavelier, Florine

    2015-06-01

    Stereoselective synthesis of unsaturated α-amino acids was performed by asymmetric alkylation. Two methods were investigated and their enantiomeric excess measured and compared. The first route consisted of an enantioselective approach induced by the Corey-Lygo catalyst under chiral phase transfer conditions while the second one involved the hydroxypinanone chiral auxiliary, both implicating Schiff bases as substrate. In all cases, the use of a prochiral Schiff base gave higher enantiomeric excess and yield in the final desired amino acid.

  14. Hydrogeology of the unsaturated zone, Yucca Mountain, Nevada

    International Nuclear Information System (INIS)

    Montazer, P.; Wilson, W.E.

    1985-01-01

    The unsaturated volcanic tuff beneath Yucca Mountain, Nevada, is being evaluated by the US Department of Energy as a host rock for a potential mined geologic repository for high-level radioactive waste. Assessment of site suitability needs an efficient and focused investigative program. A conceptual hydrogeologic model that simulates the flow of fluids through the unsaturated zone at Yucca Mountain was developed to guide the program and to provide a basis for preliminary assessment of site suitability. The study was made as part of the Nevada Nuclear Waste Storage Investigations Project of the US Department of Energy. Thickness of the unsaturated zone is about 1640 to 2460 feet (500 to 750 meters). Based on physical properties, the rocks in the unsaturated zone are grouped for the purpose of this paper into five informal hydrogeologic units. From top to bottom these units are: Tiva Canyon welded unit, Paintbrush nonwelded unit. Topopah Spring welded unit, Calico Hills nonwelded unit, and Crater Flat unit. Welded units have a mean fracture density of 8 to 40 fractures per unit cubic meter, mean matrix porosities of 12 to 23%, matrix hydraulic conductivities with geometric means ranging from 6.5 x 10 -6 to 9.8 x 10 -6 foot per day (2 x 10 -6 to 3 x 10 -6 meter per day), and bulk hydraulic conductivities of 0.33 to 33 feet per day (0.1 to 10 meters per day). The nonwelded units have a mean fracture density of 1 to 3 fractures per unit cubic meter, mean matrix porosities of 31 to 46%, and saturated hydraulic conductivities with geometric means ranging from 2.6 x 10 -5 to 2.9 x 10 -2 foot per day (8 x 10 -6 to 9 x 10 -3 meter per day). 15 refs., 4 figs., 1 tab

  15. The transport and behaviour of isoproturon in unsaturated chalk cores

    Science.gov (United States)

    Besien, T. J.; Williams, R. J.; Johnson, A. C.

    2000-04-01

    A batch sorption study, a microcosm degradation study, and two separate column leaching studies were used to investigate the transport and fate of isoproturon in unsaturated chalk. The column leaching studies used undisturbed core material obtained from the field by dry percussion drilling. Each column leaching study used 25 cm long, 10 cm wide unsaturated chalk cores through which a pulse of isoproturon and bromide was eluted. The cores were set-up to simulate conditions in the unsaturated zone of the UK Chalk aquifer by applying a suction of 1 kPa (0.1 m H 2O) to the base of each column, and eluting at a rate corresponding to an average recharge rate through the unsaturated Chalk. A dye tracer indicated that the flow was through the matrix under these conditions. The results from the first column study showed high recovery rates for both isoproturon (73-92%) and bromide (93-96%), and that isoproturon was retarded by a factor of about 1.23 relative to bromide. In the second column study, two of the four columns were eluted with non-sterile groundwater in place of the sterile groundwater used on all other columns, and this study showed high recovery rates for bromide (85-92%) and lower recovery rates for isoproturon (66-79% — sterile groundwater, 48-61% — non-sterile groundwater). The enhanced degradation in the columns eluted with non-sterile groundwater indicated that groundwater microorganisms had increased the degradation rate within these columns. Overall, the reduced isoproturon recovery in the second column study was attributed to increased microbial degradation as a result of the longer study duration (162 vs. 105 days). The breakthrough curves (BTCs) for bromide had a characteristic convection-dispersion shape and were accurately simulated with the minimum of calibration using a simple convection-dispersion model (LEACHP). However, the isoproturon BTCs had an unusual shape and could not be accurately simulated.

  16. Uranium Sequestration by Aluminum Phosphate Minerals in Unsaturated Soils

    International Nuclear Information System (INIS)

    Jerden, James L. Jr.

    2007-01-01

    A mineralogical and geochemical study of soils developed from the unmined Coles Hill uranium deposit (Virginia) was undertaken to determine how phosphorous influences the speciation of uranium in an oxidizing soil/saprolite system typical of the eastern United States. This paper presents mineralogical and geochemical results that identify and quantify the processes by which uranium has been sequestered in these soils. It was found that uranium is not leached from the saturated soil zone (saprolites) overlying the deposit due to the formation of a sparingly soluble uranyl phosphate mineral of the meta-autunite group. The concentration of uranium in the saprolites is approximately 1000 mg uranium per kg of saprolite. It was also found that a significant amount of uranium was retained in the unsaturated soil zone overlying uranium-rich saprolites. The uranium concentration in the unsaturated soils is approximately 200 mg uranium per kg of soil (20 times higher than uranium concentrations in similar soils adjacent to the deposit). Mineralogical evidence indicates that uranium in this zone is sequestered by a barium-strontium-calcium aluminum phosphate mineral of the crandallite group (gorceixite). This mineral is intimately inter-grown with iron and manganese oxides that also contain uranium. The amount of uranium associated with both the aluminum phosphates (as much as 1.4 weight percent) has been measured by electron microprobe micro-analyses and the geochemical conditions under which these minerals formed has been studied using thermodynamic reaction path modeling. The geochemical data and modeling results suggest the meta-autunite group minerals present in the saprolites overlying the deposit are unstable in the unsaturated zone soils overlying the deposit due to a decrease in soil pH (down to a pH of 4.5) at depths less than 5 meters below the surface. Mineralogical observations suggest that, once exposed to the unsaturated environment, the meta-autunite group

  17. Unsaturated polyester resin composition curable with ionizing radiations

    International Nuclear Information System (INIS)

    Maruyama, Tsutomu; Murata, Koichiro.

    1971-01-01

    An unsaturated polyester resin composition curable with ionizing radiations and excellent in weather resistance is provided. The composition is obtained by reacting 10-12 moles of a polyhydric alcohol (e.g. ethylene glycol) with 10 moles of an acid mixture (25.45% by mole of endo-cis-bicyclo (2,2,1)-5-heptene-2-3-dicarboxylic acid (A), 20-40% of unsaturated dibasic acid and 15-55% of saturated dibasic acid) so that the acid value reaches 4-11. The composition is useful as coating, laminating and molding materials. As a coating material it is excellent in surface hardening property. The ionizing radiation used is preferably β-, α-rays or electron beams. In one example, and unsaturated polyester was prepared by reacting 3 moles of fumaric acid, 2 moles of phthalic anhydride, 3 moles of adipic acid 3, moles of (A), 10 moles of neopentyl glycol and 1 mole of trimethylolpropane. The resin was dissolved into a mixture of styrene, methyl methacrylate and butyl acrylate (50:8:42) and incorporated with titanium white. An ABS plate was coated with the enamel thus obtained and irradiated with electron beams (12 Mrad). In exposure test at 60 0 C, luster of the film was 92 before exposure and 83 after 30 months. In a comparative run in which (A) was not used, luster of the film decreased from 90 to 45 in 30 months. (Sakaichi, S.)

  18. Unsaturated Fatty Acids Supplementation Reduces Blood Lead Level in Rats

    Science.gov (United States)

    Skoczyńska, Anna; Wojakowska, Anna; Nowacki, Dorian; Bobak, Łukasz; Turczyn, Barbara; Smyk, Beata; Szuba, Andrzej; Trziszka, Tadeusz

    2015-01-01

    Some dietary factors could inhibit lead toxicity. The aim of this study was to evaluate the effect of dietary compounds rich in unsaturated fatty acids (FA) on blood lead level, lipid metabolism, and vascular reactivity in rats. Serum metallothionein and organs' lead level were evaluated with the aim of assessing the possible mechanism of unsaturated FA impact on blood lead level. For three months, male Wistar rats that were receiving drinking water with (100 ppm Pb) or without lead acetate were supplemented per os daily with virgin olive oil or linseed oil (0.2 mL/kg b.w.) or egg derived lecithin fraction: “super lecithin” (50 g/kg b.w.). Mesenteric artery was stimulated ex vivo by norepinephrine (NE) administered at six different doses. Lecithin supplementation slightly reduced pressor responses of artery to NE. Lead administered to rats attenuated the beneficial effect of unsaturated FA on lipid metabolism and vascular reactivity to adrenergic stimulation. On the other hand, the super lecithin and linseed oil that were characterized by low omega-6 to omega-3 ratio (about 1) reduced the blood lead concentration. This effect was observed in lead poisoned rats (p < 0.0001) and also in rats nonpoisoned with lead (p < 0.05). PMID:26075218

  19. Growth of Synthrophomonas wolfei on unsaturated short chain fatty acids

    Energy Technology Data Exchange (ETDEWEB)

    Amos, D.A.; McInerney, M.J. (Univ. of Oklahoma, Norman, OK (United States))

    1990-01-01

    The anaerobic fatty acid-degrading syntrophic bacterium, Syntrophomonas wolfei, was grown in pure culture with either trans-2-pentenoate, trans-2-hexenoate, trans-3-hexenoate, or trans, trans-2, 4-hexadienoate as the substrate. Trans-2-pentenoate was fermented to acetate, propionate, butyrate, and valerate. Acetate, butyrate and hexanoate were produced from the six-carbon mono- and di-unsaturated acids. Propionate was also product from the trans, trans-2, 4-hexadienoate which suggested that compound was degraded by another pathway in addition to [beta]-oxidation. The transient production of trans-2-hexenoate from trans-3-hexenoate suggested that the position of the double bound shifted from carbon-3 to carbon-2 prior to [beta]-oxidation. The specific growth rate decreased with increasing carbon length and degree of unsaturation. Molar growth yields ranged from 8.4 to 17.5 mg (dry wt.) per mmol and suggested that energy was conserved not only from substrate-level phosphorylation, but also from the reduction of unsaturated substrate.

  20. Saturated versus unsaturated hydrocarbon interactions with carbon nanostructures

    Directory of Open Access Journals (Sweden)

    Deivasigamani eUmadevi

    2014-09-01

    Full Text Available The interactions of various acyclic and cyclic hydrocarbons in both saturated and unsaturated forms with the carbon nanostructures (CNSs have been explored by using density functional theory (DFT calculations. Model systems representing armchair and zigzag carbon nanotubes (CNTs and graphene have been considered to investigate the effect of chirality and curvature of the CNSs towards these interactions. Results of this study reveal contrasting binding nature of the acyclic and cyclic hydrocarbons towards CNSs. While the saturated molecules show stronger binding affinity in acyclic hydrocarbons; the unsaturated molecules exhibit higher binding affinity in cyclic hydrocarbons. In addition, acyclic hydrocarbons exhibit stronger binding affinity towards the CNSs when compared to their corresponding cyclic counterparts. The computed results excellently corroborate the experimental observations. The interaction of hydrocarbons with graphene is more favourable when compared with CNTs. Bader’s theory of atoms in molecules has been invoked to characterize the noncovalent interactions of saturated and unsaturated hydrocarbons. Our results are expected to provide useful insights towards the development of rational strategies for designing complexes with desired noncovalent interaction involving CNSs.

  1. A quasilinear model for solute transport under unsaturated flow

    International Nuclear Information System (INIS)

    Houseworth, J.E.; Leem, J.

    2009-01-01

    We developed an analytical solution for solute transport under steady-state, two-dimensional, unsaturated flow and transport conditions for the investigation of high-level radioactive waste disposal. The two-dimensional, unsaturated flow problem is treated using the quasilinear flow method for a system with homogeneous material properties. Dispersion is modeled as isotropic and is proportional to the effective hydraulic conductivity. This leads to a quasilinear form for the transport problem in terms of a scalar potential that is analogous to the Kirchhoff potential for quasilinear flow. The solutions for both flow and transport scalar potentials take the form of Fourier series. The particular solution given here is for two sources of flow, with one source containing a dissolved solute. The solution method may easily be extended, however, for any combination of flow and solute sources under steady-state conditions. The analytical results for multidimensional solute transport problems, which previously could only be solved numerically, also offer an additional way to benchmark numerical solutions. An analytical solution for two-dimensional, steady-state solute transport under unsaturated flow conditions is presented. A specific case with two sources is solved but may be generalized to any combination of sources. The analytical results complement numerical solutions, which were previously required to solve this class of problems.

  2. Characterization of unsaturated hydraulic parameters for homogeneous and heterogeneous soils

    Energy Technology Data Exchange (ETDEWEB)

    Wildenschild, Dorthe

    1997-09-01

    Application of numerical models for predicting future spreading of contaminants into ground water aquifers is dependent on appropriate characterization of the soil hydraulic properties controlling flow and transport in the unsaturated zone. This thesis reviews the current knowledge on two aspects of characterization of unsaturated hydraulic parameters; estimation of the basic hydraulic parameters for homogeneous soils and statistical representation of heterogeneity for spatially variable soils. The retention characteristic is traditionally measured using steady-state procedures, but new ideas based on dynamic techniques have been developed that reduce experimental efforts and that produce retention curves which compare to those measured by traditional techniques. The unsaturated hydraulic conductivity is difficult to establish by steady-state procedures, and extensive research efforts have been focused on alternative methods that are based on inverse estimation. The inverse methods have commonly been associated with problems of numerical instability and ill-posedness of the parameter estimates, but recent investigations have shown that the uniqueness of parameter estimates can be improved by including additional, independent information on, for instance, the retention characteristic. Also, uniqueness may be improved by careful selection of experimental conditions are parametric functions. (au) 234 refs.

  3. Analysis of pumping-induced unsaturated regions beneath aperennial river

    Energy Technology Data Exchange (ETDEWEB)

    Su, G.W.; Jasperse, J.; Seymour, D.; Constantz, J.; Zhou, Q.

    2007-05-15

    The presence of an unsaturated region beneath a streambedduring groundwater pumping near streams reduces the pumping capacity whenit reaches the well screens, changes flow paths, and alters the types ofbiological transformations in the streambed sediments. Athree-dimensional, multi-phase flow model of two horizontal collectorwells along the Russian River near Forestville, California was developedto investigate the impact of varying the ratio of the aquifer tostreambed permeability on (1) the formation of an unsaturated regionbeneath the stream, (2) the pumping capacity, (3) stream-water fluxesthrough the streambed, and (4) stream-water travel times to the collectorwells. The aquifer to streambed permeability ratio at which theunsaturated region was initially observed ranged from 10 to 100. The sizeof the unsaturated region beneath the streambed increased as the aquiferto streambed permeability ratio increased. The simulations also indicatedthat for a particular aquifer permeability, decreasing the streambedpermeability by only a factor of 2-3 from the permeability wheredesaturation initially occurred resulted in reducing the pumpingcapacity. In some cases, the stream-water fluxes increased as thestreambed permeability decreased. However, the stream water residencetimes increased and the fraction of stream water that reached that thewells decreased as the streambed permeability decreased, indicating thata higher streambed flux does not necessarily correlate to greaterrecharge of stream water around the wells.

  4. Role of unsaturated soil in a waste containment system

    Energy Technology Data Exchange (ETDEWEB)

    Lim, P.C.; Tay, J.H. [Nanyang Technological Univ. (Singapore)

    1996-12-31

    The role of the unsaturated properties of sand as a drainage layer in a composite liner system for landfills is investigated. The effect of the unsaturated properties of coarse-grained soil on contaminant migration was evaluated by means of a series of simulations using a one-dimensional model of a two- and a three-layer soil liner system for advection and diffusion, respectively. The results showed that under seepage conditions, the effect of an unsaturated sand layer on the advancement of the concentration front was quite insignificant. The arrival time of the C/C{sub o} = 0.5 concentration front increased from 651 days for the case with no sand layer to approximately 951 days for the case with a 1.0-m sand layer. A steady-state flow condition was ultimately established in the sand, and this fact suggests that the capillary action might not be effective. For diffusion, the arrival time of the concentration front increased nonlinearly with a decrease in the degree of saturation and linearly with increasing depths of the sand layer. At a residual degree of saturation, the arrival times of the C/C{sub o} = 0.01 and 0.5 concentration front at the base of the 1-m sand layer were 26.9 and 877.4 years as compared to 1.52 and 2.62 years by advection, respectively. 17 refs., 11 figs.

  5. Synthesis, Crystal Structures, Magnetic Properties, and Theoretical Investigation of a New Series of NiII-LnIII-WV Heterotrimetallics: Understanding the SMM Behavior of Mixed Polynuclear Complexes.

    Science.gov (United States)

    Vieru, Veacheslav; Pasatoiu, Traian D; Ungur, Liviu; Suturina, Elizaveta; Madalan, Augustin M; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius; Chibotaru, Liviu F

    2016-12-05

    The polynuclear compounds containing anisotropic metal ions often exhibit efficient barriers for blocking of magnetization at fairly arbitrary geometries. However, at variance with mononuclear complexes, which usually become single-molecule magnets (SMM) under the sole requirement of a highly axial crystal field at the metal ion, the factors influencing the SMM behavior in polynuclear complexes, especially, with weakly axial magnetic ions, still remain largely unrevealed. As an attempt to clarify these conditions, we present here the synthesis, crystal structures, magnetic behavior, and ab initio calculations for a new series of Ni II -Ln III -W V trimetallics, [(CN) 7 W(CN)Ni(H 2 O)(valpn)Ln(H 2 O) 4 ]·H 2 O (Ln = Y 1, Eu 2, Gd 3, Tb 4, Dy 5, Lu 6). The surprising finding is the absence of the magnetic blockage even for compounds involving strongly anisotropic Dy III and Tb III metal ions. This is well explained by ab initio calculations showing relatively large transversal components of the g-tensor in the ground exchange Kramers doublets of 1 and 4 and large intrinsic tunneling gaps in the ground exchange doublets of 3 and 5. In order to get more insight into this behavior, another series of earlier reported compounds with the same trinuclear [W V Ni II Ln III ] core structure, [(CN) 7 W(CN)Ni(dmf)(valdmpn)Ln(dmf) 4 ]·H 2 O (Ln = Gd III 7, Tb III 8a, Dy III 9, Ho III 10), [(CN) 7 W(CN)Ni(H 2 O)(valdmpn)Tb(dmf) 2.5 (H 2 O) 1.5 ]·H 2 O·0.5dmf 8b, and [(CN) 7 W(CN)Ni(H 2 O)(valdmpn)Er(dmf) 3 (H 2 O) 1 ]·H 2 O·0.5dmf 11, has been also investigated theoretically. In this series, only 8b exhibits SMM behavior which is confirmed by the present ab initio calculations. An important feature for the entire series is the strong ferromagnetic coupling between Ni(II) and W(V), which is due to an almost perfect trigonal dodecahedron geometry of the octacyano wolframate fragment. The reason why only 8b is an SMM is explained by positive zero-field splitting on the nickel

  6. Modeling of flow and mass transport processes in unsaturated soils in combination with technical facilities

    International Nuclear Information System (INIS)

    Hasan, Issa

    2014-01-01

    The modelling of complex systems such as the underground is a means to describe the processes occurring in the reality. The conducting of experiments on a model to obtain qualitative evidence about a real system is referred to as a simulation. Thereby, various models (e.g. physical and mathematical models) can be used. The unsaturated zone (vadose zone) is the region between the land surface and the water table, in which the water content is less than full saturation, and the pressure is lower than the atmospheric pressure. The unsaturated zone is very significant for agriculture, geobiology, aerobic degradation processes and groundwater recharge. The processes of water flow and solute transport in the unsaturated zone can be described by means of numerical simulation programs. The aim of the present work is a comprehensive validation of the simulation program PCSiWaPro registered (developed at the TU-Dresden, Institute of Waste Management and Contaminated Site Treatment) for different applications. Another aim of this work is to investigate the applicability of the current version of PCSiWaPro registered for different cases of a combination between the unsaturated zone and technical facilities. Four application cases with different objectives were investigated within the present work, which are: the simulation of decentralized wastewater infiltration with corresponding column and field experiments, the computation of groundwater recharge by means of lysimeters, the water balance of earth dams and the modelling of landfill covering systems. The application cases differ from each other by the objective of the simulation, the geometry, the size, the specified initial and boundary conditions, the simulation time, the applied materials, the coordinate system, the input and output data. The simulation results clearly showed that PCSiWaPro registered is applicable for all investigated cases under consideration of different flow and solute transport regimes, parameters

  7. Explicitly computing geodetic coordinates from Cartesian coordinates

    Science.gov (United States)

    Zeng, Huaien

    2013-04-01

    This paper presents a new form of quartic equation based on Lagrange's extremum law and a Groebner basis under the constraint that the geodetic height is the shortest distance between a given point and the reference ellipsoid. A very explicit and concise formulae of the quartic equation by Ferrari's line is found, which avoids the need of a good starting guess for iterative methods. A new explicit algorithm is then proposed to compute geodetic coordinates from Cartesian coordinates. The convergence region of the algorithm is investigated and the corresponding correct solution is given. Lastly, the algorithm is validated with numerical experiments.

  8. Synthesis of porphyryl boronates with (un)saturated side-chains

    OpenAIRE

    SENGE, MATHIAS; SERGEEVA, NATALIA

    2008-01-01

    PUBLISHED Porphyrins with (un)saturated side?chains containing boron residues were developed as synthons for porphyrin functionalization. Porphyrins with mono and bis-substituted unsaturated boronyl residues were prepared in good yields (52?66 %) using a cross?metathesis approach in the presence of Grubbs I-generation catalysts. In all cases complete E?stereoselectivity (100 %) was observed. Furthermore, formal cross?metathesis products with ?,??unsaturated chains smoothly underwent additi...

  9. Modeling field scale unsaturated flow and transport processes

    International Nuclear Information System (INIS)

    Gelhar, L.W.; Celia, M.A.; McLaughlin, D.

    1994-08-01

    The scales of concern in subsurface transport of contaminants from low-level radioactive waste disposal facilities are in the range of 1 to 1,000 m. Natural geologic materials generally show very substantial spatial variability in hydraulic properties over this range of scales. Such heterogeneity can significantly influence the migration of contaminants. It is also envisioned that complex earth structures will be constructed to isolate the waste and minimize infiltration of water into the facility. The flow of water and gases through such facilities must also be a concern. A stochastic theory describing unsaturated flow and contamination transport in naturally heterogeneous soils has been enhanced by adopting a more realistic characterization of soil variability. The enhanced theory is used to predict field-scale effective properties and variances of tension and moisture content. Applications illustrate the important effects of small-scale heterogeneity on large-scale anisotropy and hysteresis and demonstrate the feasibility of simulating two-dimensional flow systems at time and space scales of interest in radioactive waste disposal investigations. Numerical algorithms for predicting field scale unsaturated flow and contaminant transport have been improved by requiring them to respect fundamental physical principles such as mass conservation. These algorithms are able to provide realistic simulations of systems with very dry initial conditions and high degrees of heterogeneity. Numerical simulation of the movement of water and air in unsaturated soils has demonstrated the importance of air pathways for contaminant transport. The stochastic flow and transport theory has been used to develop a systematic approach to performance assessment and site characterization. Hypothesis-testing techniques have been used to determine whether model predictions are consistent with observed data

  10. Unsaturated Zone and Saturated Zone Transport Properties (U0100)

    Energy Technology Data Exchange (ETDEWEB)

    J. Conca

    2000-12-20

    This Analysis/Model Report (AMR) summarizes transport properties for the lower unsaturated zone hydrogeologic units and the saturated zone at Yucca Mountain and provides a summary of data from the Busted Butte Unsaturated Zone Transport Test (UZTT). The purpose of this report is to summarize the sorption and transport knowledge relevant to flow and transport in the units below Yucca Mountain and to provide backup documentation for the sorption parameters decided upon for each rock type. Because of the complexity of processes such as sorption, and because of the lack of direct data for many conditions that may be relevant for Yucca Mountain, data from systems outside of Yucca Mountain are also included. The data reported in this AMR will be used in Total System Performance Assessment (TSPA) calculations and as general scientific support for various Process Model Reports (PMRs) requiring knowledge of the transport properties of different materials. This report provides, but is not limited to, sorption coefficients and other relevant thermodynamic and transport properties for the radioisotopes of concern, especially neptunium (Np), plutonium (Pu), Uranium (U), technetium (Tc), iodine (I), and selenium (Se). The unsaturated-zone (UZ) transport properties in the vitric Calico Hills (CHv) are discussed, as are colloidal transport data based on the Busted Butte UZTT, the saturated tuff, and alluvium. These values were determined through expert elicitation, direct measurements, and data analysis. The transport parameters include information on interactions of the fractures and matrix. In addition, core matrix permeability data from the Busted Butte UZTT are summarized by both percent alteration and dispersion.

  11. Unsaturated Zone and Saturated Zone Transport Properties (U0100)

    International Nuclear Information System (INIS)

    Conca, J.

    2000-01-01

    This Analysis/Model Report (AMR) summarizes transport properties for the lower unsaturated zone hydrogeologic units and the saturated zone at Yucca Mountain and provides a summary of data from the Busted Butte Unsaturated Zone Transport Test (UZTT). The purpose of this report is to summarize the sorption and transport knowledge relevant to flow and transport in the units below Yucca Mountain and to provide backup documentation for the sorption parameters decided upon for each rock type. Because of the complexity of processes such as sorption, and because of the lack of direct data for many conditions that may be relevant for Yucca Mountain, data from systems outside of Yucca Mountain are also included. The data reported in this AMR will be used in Total System Performance Assessment (TSPA) calculations and as general scientific support for various Process Model Reports (PMRs) requiring knowledge of the transport properties of different materials. This report provides, but is not limited to, sorption coefficients and other relevant thermodynamic and transport properties for the radioisotopes of concern, especially neptunium (Np), plutonium (Pu), Uranium (U), technetium (Tc), iodine (I), and selenium (Se). The unsaturated-zone (UZ) transport properties in the vitric Calico Hills (CHv) are discussed, as are colloidal transport data based on the Busted Butte UZTT, the saturated tuff, and alluvium. These values were determined through expert elicitation, direct measurements, and data analysis. The transport parameters include information on interactions of the fractures and matrix. In addition, core matrix permeability data from the Busted Butte UZTT are summarized by both percent alteration and dispersion

  12. Hypolipidemic action of garlic unsaturated oils in irradiated mice

    International Nuclear Information System (INIS)

    Gupta, N.K.

    1988-01-01

    Adult male Swiss albino mice were injected with 74 KBq g -1 body weight of radiocalcium 45 Ca in the presence and absence of unsaturated oils of garlic, and changes in the total lipids and triglycerides contents of liver were observed at various intervals from 1 to 14 days. The results obtained indic ate that the garlic oils prevented rapid increase in hepatic total lipids and triglycerides induced by radiocalcium and the values reached normal values earlier in garlic-treated than in irradiated animals. Possible mechanism(s) underlying hypolipidemic action of garlic oil have been discussed. (author). 22 refs

  13. NNWSI waste form test method for unsaturated disposal conditions

    International Nuclear Information System (INIS)

    Bates, J.K.; Gerding, T.J.

    1985-03-01

    A test method has been developed to measure the release of radionuclides from the waste package under simulated NNWSI repository conditions, and to provide information concerning materials interactions that may occur in the repository. Data are presented from Unsaturated testing of simulated Savannah River Laboratory 165 glass completed through 26 weeks. The relationship between these results and those from parametric and analog testing are described. The data indicate that the waste form test is capable of producing consistent, reproducible results that will be useful in evaluating the role of the waste package in the long-term performance of the repository. 6 refs., 7 figs., 5 tabs

  14. Processing of Unsaturated Organic Acid Aerosols by Ozone

    Science.gov (United States)

    Aloisio, S.; Donaldson, D. J.; Eliason, T. L.; Cziczo, D.; Vaida, V.

    2002-05-01

    We present results of in-situ studies of the oxidative "processing" of organic aerosols composed of unsaturated organic compounds. Aerosol samples of 2-octenoic acid and undecylenic acid were exposed to approx. 10 mbar ozone in a room temperature, atmospheric pressure flow tube reactor. In-situ spectroscopic probing of the reaction mixture, as well as GC-MS analysis of the flow tube effluent, shows evidence of efficient oxidation of double bonds in the organic species, with production of gas-phase and aerosol phase ozonolysis products.

  15. Estimating unsaturated hydraulic conductivity from soil moisture-tim function

    International Nuclear Information System (INIS)

    El Gendy, R.W.

    2002-01-01

    The unsaturated hydraulic conductivity for soil can be estimated from o(t) function, and the dimensionless soil water content parameter (Se)Se (β - βr)/ (φ - θ)), where θ, is the soil water content at any time (from soil moisture depletion curve l; θ is the residual water content and θ, is the total soil porosity (equals saturation point). Se can be represented as a time function (Se = a t b ), where t, is the measurement time and (a and b) are the regression constants. The recommended equation in this method is given by

  16. Study of transport in unsaturated sands using radioactive tracers

    International Nuclear Information System (INIS)

    Merritt, W.F.; Pickens, J.F.; Allison, G.B.

    1979-01-01

    A laboratory experiment was conducted to investigate the mixing that occurs as a series of labelled pulses of water are transported by gravity drainage down through a sand filled column having a water table imposed at the bottom. It also demonstrated the utility of gamma-ray emitting radioactive tracers in studying transport in unsaturated or saturated porous media. The motivation for pursuing this topic was developed from observing that the content of oxygen-18, deuterium and tritium in rainwater shows marked temporal variations whereas their concentrations below the water table in shallow ground water flow systems are generally found to show much less variation. (auth)

  17. Chemo-hydro-mechanical behaviour of unsaturated clays

    International Nuclear Information System (INIS)

    Mokni, N.; Olivella, S.; Alonso, E.E.; Romero, E.

    2010-01-01

    Document available in extended abstract form only. Understanding of the chemical effects on clays is essential for many problems ranging from pollution studies and waste-containment. Several studies examined the effect of changes in pore fluid composition on the mechanical and hydraulic properties. Volume changes (contraction/ expansion) have been measured on clay specimens upon exposure to salt solutions or permeation with organic liquids. Moreover, it was shown that permeation of clay with brine induces an increase of the shear strength. In addition, several models have been proposed to describe the chemo-mechanical behaviour of saturated clays under saturated conditions. A new chemo-hydro-mechanical model for unsaturated clays is under development. The chemo-mechanical effects are described within an elasto-plastic framework using the concept that chemical effects act on the plastic properties by increasing or decreasing the pre-consolidation stress. The model is based on the distinction within the material of a microstructural and a macro-structural levels. Chemical loading has a significant effect on the microstructure. The negative pressure associated with the capillary water plays its role in the interconnected macro pores. By adopting simple assumptions concerning the coupling between the two levels it is intended to reproduce the features of the behaviour of unsaturated clays when there is a change in pore fluid composition (increase or decrease of concentration). A yield surface which defines the set of yield pre-consolidation stress values, for each associated capillary suction and concentration of pore fluid should be defined. In addition, the behaviour of clays under unsaturated condition and the behaviour at full saturation under chemical loading represent two limiting cases of the framework. Studies on the compatibility of Boom Clay with large amounts of nitrate- bearing bituminized radioactive waste have recently raised a particular interest on the

  18. Asymptotically optimal unsaturated lattice cubature formulae with bounded boundary layer

    Energy Technology Data Exchange (ETDEWEB)

    Ramazanov, M D [Institute of Mathematics with Computing Centre, Ufa Science Centre, Russian Academy of Sciences, Ufa (Russian Federation)

    2013-07-31

    This paper describes a new algorithm for constructing lattice cubature formulae with bounded boundary layer. These formulae are unsaturated (in the sense of Babenko) both with respect to the order and in regard to the property of asymptotic optimality on W{sub 2}{sup m}-spaces, m element of (n/2,∞). Most of the results obtained apply also to W{sub 2}{sup μ}(R{sup n})-spaces with a hypoelliptic multiplier of smoothness μ. Bibliography: 6 titles.

  19. Effect of Structure Change on Radiation Crosslinking of Unsaturated Polyesters

    International Nuclear Information System (INIS)

    Ranogajec, F.

    2006-01-01

    During the course of crosslinking of unsaturated polyesters reacting system, that was liquid prior to reaction, gels, and becomes solid. Crosslinking reaction begins to be controlled by the change of the physical state of the system at an early stage of reaction. The kinetics can not be studied by the usual kinetical methods. In-source 60 C o gamma rays induced crosslinking of unsaturated polyester with styrene was followed directly and continuously by measuring electrical conductivity change. The results of extraction analysis proved good correlation between the change of electrical conductivity and the extent of curing. The gel content was inversely proportional to conductivity and free styrene content directly proportional to conductivity. DC-electrical conductivity has shown high sensitivity toward structural changes and enabled us to detect liquid-liquid transitions in unsaturated polyester. The upper liquid-liquid transition (T l ρ) is less known transition caused by a stepwise decrease of intramolecular short-range local order that remains above the glass and lower liquid-liquid transitions. The local order is based on secondary valent interactions and is enhanced by hydrogen bonding. The linear temperature dependence of the viscosity and dc electrical conductivity of unsaturated polyesters showed a change of slope caused by the (T l ρ). Those changes were the result of the diminishing of the local order (which includes several bond lengths) caused by breaking of the intramolecular interactions. The intramolecular nature of the (T l ρ) in the polyesters under consideration was proved by its insensitivity to crosslinking and dilution with solvents. In the corresponding temperature range, DSC thermograms shoved expected endothermic changes. The structure changes related to the (T l ρ) in the investigated polyesters were determined by 1 H NMR and NIR spectroscopy. The proton NMR indicated that the stepwise change in hydrogen bonding occurred in the

  20. Coordination polymers: trapping of radionuclides and chemistry of tetravalent actinides (Th, U) carboxylates

    International Nuclear Information System (INIS)

    Falaise, Clement

    2014-01-01

    The use of nuclear energy obviously raises the question of the presence of radionuclides in the environment. Currently, their mitigation is a major issue associated with nuclear chemistry. This thesis focuses on both the trapping of radionuclides by porous solids called Metal-Organic Frameworks (MOF) and the crystal chemistry of the carboxylate of tetravalent actinides (AnIV). The academic knowledge of the reactivity of carboxylate of AnIV could help the understanding of actinides speciation in environment. We focused on the sequestration of iodine by aluminum based MOF. The functionalization (electron-donor group) of the MOF drastically enhances the iodine capture capacity. The removal of light actinides (Th and U) from aqueous solution was also investigated as well as the stability of (Al)-MOF under γ radiation. More than twenty coordination polymers based on tetravalent actinides have been synthesized and characterized by single crystal X-ray diffraction. The use of controlled hydrolysis promotes the formation of coordination polymers exhibiting polynuclear cluster ([U 4 ], [Th 6 ], [U 6 ] and [U 38 ]). In order to understand the formation of the largest cluster, the ex-situ study of the solvo-thermal synthesis of compound {U 38 } has also been investigated. (author)

  1. Measurement of polynuclear aromatic hydrocarbons (PAHs) in epiphytic lichens and from PM 2.5 filters for receptor modeling in the Alberta Oil Sands Region (Invited)

    Science.gov (United States)

    Studabaker, W. B.; Jayanty, J.; Raymer, J. H.; Krupa, S.

    2013-12-01

    As mining and refinery operations in the Alberta Oil Sands Region (AOSR) have expanded, there has been increasing concern for the impacts of air pollution generated by those operations on both human and ecosystem health. The inaccessibility of much of the AOSR makes it difficult to establish conventional air quality monitoring stations to the extent needed to model long-range impacts of emissions from the AOSR operations. Epiphytic lichens are important markers of ecosystem health, are well-established bioaccumulators of trace metals, and are potentially useful biomonitors of air pollution. However, their ability to take up organic pollutants has not been extensively explored, and only recently have they been used for biomonitoring of pollution by PAHs. Here we describe the determination of polynuclear aromatic hydrocarbons (PAHs) in lichens, collected from sites throughout the AOSR, for modeling emissions associated with mining and oil extraction operations. We also describe preliminary results of the determination of PAHs in PM 2.5 filters from dichotomous samplers stationed in the AOSR, in the context of the biological sample data. Lichens (Hypogymnia physodes) were collected on two separate occasions. During the summer of 2009, single samples were taken from 200 sites in the AOSR; a subset of 20 of these was selected for determination of PAHs. During the summer of 2011, triplicate samples (from separate trees within a site) were collected from 20 sites representing similar locations to the 2008 sites. Lichens were milled in a cryogenic impactor, then were extracted with cyclohexane. Extracts were purified on silica gel using automated solid phase extraction and analyzed by gas chromatography with mass selective detection. Method detection limits for individual PAHs were 2-4 ng/g. Total PAHs in the samples from both collection events ranged from 50 ng/g to 350 ng/g, and declined with increasing distance from the mining and refinery operations. The relative

  2. The curvature coordinate system

    DEFF Research Database (Denmark)

    Almegaard, Henrik

    2007-01-01

    The paper describes a concept for a curvature coordinate system on regular curved surfaces from which faceted surfaces with plane quadrangular facets can be designed. The lines of curvature are used as parametric lines for the curvature coordinate system on the surface. A new conjugate set of lin...

  3. Coordinate measuring machines

    DEFF Research Database (Denmark)

    De Chiffre, Leonardo

    This document is used in connection with three exercises of 2 hours duration as a part of the course GEOMETRICAL METROLOGY AND MACHINE TESTING. The exercises concern three aspects of coordinate measuring: 1) Measuring and verification of tolerances on coordinate measuring machines, 2) Traceabilit...... and uncertainty during coordinate measurements, 3) Digitalisation and Reverse Engineering. This document contains a short description of each step in the exercise and schemes with room for taking notes of the results.......This document is used in connection with three exercises of 2 hours duration as a part of the course GEOMETRICAL METROLOGY AND MACHINE TESTING. The exercises concern three aspects of coordinate measuring: 1) Measuring and verification of tolerances on coordinate measuring machines, 2) Traceability...

  4. Effects from Unsaturated Zone Flow during Oscillatory Hydraulic Testing

    Science.gov (United States)

    Lim, D.; Zhou, Y.; Cardiff, M. A.; Barrash, W.

    2014-12-01

    In analyzing pumping tests on unconfined aquifers, the impact of the unsaturated zone is often neglected. Instead, desaturation at the water table is often treated as a free-surface boundary, which is simple and allows for relatively fast computation. Richards' equation models, which account for unsaturated flow, can be compared with saturated flow models to validate the use of Darcy's Law. In this presentation, we examine the appropriateness of using fast linear steady-periodic models based on linearized water table conditions in order to simulate oscillatory pumping tests in phreatic aquifers. We compare oscillatory pumping test models including: 1) a 2-D radially-symmetric phreatic aquifer model with a partially penetrating well, simulated using both Darcy's Law and Richards' Equation in COMSOL; and 2) a linear phase-domain numerical model developed in MATLAB. Both COMSOL and MATLAB models are calibrated to match oscillatory pumping test data collected in the summer of 2013 at the Boise Hydrogeophysical Research Site (BHRS), and we examine the effect of model type on the associated parameter estimates. The results of this research will aid unconfined aquifer characterization efforts and help to constrain the impact of the simplifying physical assumptions often employed during test analysis.

  5. A New Mechanism of Canopy Effect in Unsaturated Freezing Soils

    Directory of Open Access Journals (Sweden)

    Teng Jidong

    2016-01-01

    Full Text Available Canopy effect refers to the phenomenon where moisture accumulates underneath an impervious cover. Field observation reveals that canopy effect can take place in relatively dry soils where the groundwater table is deep and can lead to full saturation of the soil immediately underneath the impervious cover. On the other hand, numerical analysis based on existing theories of heat and mass transfer in unsaturated soils can only reproduce a minor amount of moisture accumulation due to an impervious cover, particularly when the groundwater table is relatively deep. In attempt to explain the observed canopy effect in field, this paper proposes a new mechanism of moisture accumulation in unsaturated freezing soils: vapour transfer in such a soil is accelerated by the process of vapour-ice desublimation. A new approach for modelling moisture and heat movements is proposed, in which the phase change of evaporation, condensation and de-sublimation of vapor flow are taken into account. The computed results show that the proposed model can indeed reproduce the unusual moisture accumulation observed in relatively dry soils. The results also demonstrate that soil freezing fed by vapour transfer can result in a water content close to full saturation. Since vapour transfer is seldom considered in geotechnical design, the canopy effect deserves more attention during construction and earth works in cold and arid regions.

  6. Quasi‐steady centrifuge method for unsaturated hydraulic properties

    Science.gov (United States)

    Caputo, Maria C.; Nimmo, John R.

    2005-01-01

    We have developed the quasi‐steady centrifuge (QSC) method as a variation of the steady state centrifuge method that can be implemented simply and inexpensively with greater versatility in terms of sample size and other features. It achieves these advantages by somewhat relaxing the criterion for steadiness of flow through the sample. This compromise entails an increase in measurement uncertainty but to a degree that is tolerable in most applications. We have tested this new approach with an easily constructed apparatus to establish a quasi‐steady flow of water in unsaturated porous rock samples spinning in a centrifuge, obtaining measurements of unsaturated hydraulic conductivity and water retention that agree with results of other methods. The QSC method is adaptable to essentially any centrifuge suitable for hydrogeologic applications, over a wide range of sizes and operating speeds. The simplified apparatus and greater adaptability of this method expands the potential for exploring situations that are common in nature but have been the subject of few laboratory investigations.

  7. Quasi-steady centrifuge method for unsaturated hydraulic properties

    Science.gov (United States)

    Caputo, Maria C.; Nimmo, John R.

    2005-11-01

    We have developed the quasi-steady centrifuge (QSC) method as a variation of the steady state centrifuge method that can be implemented simply and inexpensively with greater versatility in terms of sample size and other features. It achieves these advantages by somewhat relaxing the criterion for steadiness of flow through the sample. This compromise entails an increase in measurement uncertainty but to a degree that is tolerable in most applications. We have tested this new approach with an easily constructed apparatus to establish a quasi-steady flow of water in unsaturated porous rock samples spinning in a centrifuge, obtaining measurements of unsaturated hydraulic conductivity and water retention that agree with results of other methods. The QSC method is adaptable to essentially any centrifuge suitable for hydrogeologic applications, over a wide range of sizes and operating speeds. The simplified apparatus and greater adaptability of this method expands the potential for exploring situations that are common in nature but have been the subject of few laboratory investigations.

  8. Adaptive probabilistic collocation based Kalman filter for unsaturated flow problem

    Science.gov (United States)

    Man, J.; Li, W.; Zeng, L.; Wu, L.

    2015-12-01

    The ensemble Kalman filter (EnKF) has gained popularity in hydrological data assimilation problems. As a Monte Carlo based method, a relatively large ensemble size is usually required to guarantee the accuracy. As an alternative approach, the probabilistic collocation based Kalman filter (PCKF) employs the Polynomial Chaos to approximate the original system. In this way, the sampling error can be reduced. However, PCKF suffers from the so called "cure of dimensionality". When the system nonlinearity is strong and number of parameters is large, PCKF is even more computationally expensive than EnKF. Motivated by recent developments in uncertainty quantification, we propose a restart adaptive probabilistic collocation based Kalman filter (RAPCKF) for data assimilation in unsaturated flow problem. During the implementation of RAPCKF, the important parameters are identified and active PCE basis functions are adaptively selected. The "restart" technology is used to alleviate the inconsistency between model parameters and states. The performance of RAPCKF is tested by unsaturated flow numerical cases. It is shown that RAPCKF is more efficient than EnKF with the same computational cost. Compared with the traditional PCKF, the RAPCKF is more applicable in strongly nonlinear and high dimensional problems.

  9. Numerical study of damage in unsaturated Geological and Engineered barriers

    International Nuclear Information System (INIS)

    Arson, C.; Gatmiri, B.

    2011-01-01

    The theoretical framework of a damage model dedicated to non-isothermal unsaturated porous media is presented. The damage variable is a second-order tensor, and the model is formulated in independent state variables. The behavior laws are derived from a postulated expression of Helmholtz free energy. The damaged rigidities are computed by applying the Principle of Equivalent Elastic Energy (PEEE). Internal length parameters are introduced in the expressions of liquid water and vapor conductivities, to account for cracking effects on fluid flows. The damage model has been implemented in Θ-Stock Finite Element program. The mechanical aspect of the damage model is validated by simulating a triaxial compression test on a dry isothermal brittle material. Then, a sophisticated model of nuclear waste disposal, involving two non-isothermal unsaturated porous media, is reproduced. The results obtained in elasticity are in good agreement with the results presented in the corresponding reference article. A parametric study on initial damage is then performed to assess the influence of the Excavated Damaged Zone (EDZ) on the response of the nuclear waste repository during the heating phase. The trends meet the theoretical expectations. (authors)

  10. Unsaturated transport of inorganic cations in undisturbed soil columns

    International Nuclear Information System (INIS)

    Jardine, P.M.; Jacobs, G.K.

    1990-01-01

    The unsaturated transport of Sr, Co, and Ca were studied in undisturbed soil columns (14 x 40 cm) of saprolitic shale to evaluate the significance of time dependent mass transfer and multispecies competitive exchange during transport. Observed breakthrough curves (BTCs) for Sr and Co were delayed relative to nonreactive Br BTC indicating that the former tracers were adsorbed by the soil. Effluent concentrations of Sr and Co were modeled with the classical convective dispersive (CD) equation and nonequilibrium mass transfer considerations did not appear necessary. Cation exchange equilibria relationships obtained from both shake batch and miscible displacement methods adequately described the thermodynamic processes which were prevalent during transport. These results suggest that the preferential transport of a reactive tracer is negligible for the realistic unsaturated conditions used in the study, and that the massive saprolite within the soil is a chemically active constituent during transport of reactive solutes. The implications of these findings for modeling in-situ subsurface contaminant transport are discussed. 7 refs., 9 figs

  11. Review of Upscaling Methods for Describing Unsaturated Flow

    Energy Technology Data Exchange (ETDEWEB)

    BD Wood

    2000-09-26

    The representation of small-scale features can be a challenge when attempting to model unsaturated flow in large domains. Upscaling methods offer the possibility of reducing the amount of resolution required to adequately simulate such a problem. In this report, the various upscaling techniques that are discussed in the literature are reviewed. The following upscaling methods have been identified from the literature: (1) stochastic methods, (2) renormalization methods, and (3) volume averaging and homogenization methods; in addition, a final technique, full resolution numerical modeling, is also discussed. Each of these techniques has its advantages and disadvantages. The trade-off is a reduction in accuracy in favor of a method that is easier to employ. For practical applications, the most reasonable approach appears to be one in which any of the upscaling methods identified above maybe suitable for upscaling in regions where the variations in the parameter fields are small. For regions where the subsurface structure is more complex, only the homogenization and volume averaging methods are probably suitable. With the continual increases in computational capacity, fill-resolution numerical modeling may in many instances provide a tractable means of solving the flow problem in unsaturated systems.

  12. Natural Length Scales Shape Liquid Phase Continuity in Unsaturated Flows

    Science.gov (United States)

    Assouline, S.; Lehmann, P. G.; Or, D.

    2015-12-01

    Unsaturated flows supporting soil evaporation and internal drainage play an important role in various hydrologic and climatic processes manifested at a wide range of scales. We study inherent natural length scales that govern these flow processes and constrain the spatial range of their representation by continuum models. These inherent length scales reflect interactions between intrinsic porous medium properties that affect liquid phase continuity, and the interplay among forces that drive and resist unsaturated flow. We have defined an intrinsic length scale for hydraulic continuity based on pore size distribution that controls soil evaporation dynamics (i.e., stage 1 to stage 2 transition). This simple metric may be used to delineate upper bounds for regional evaporative losses or the depth of soil-atmosphere interactions (in the absence of plants). A similar length scale governs the dynamics of internal redistribution towards attainment of field capacity, again through its effect on hydraulic continuity in the draining porous medium. The study provides a framework for guiding numerical and mathematical models for capillary flows across different scales considering the necessary conditions for coexistence of stationarity (REV), hydraulic continuity and intrinsic capillary gradients.

  13. Colloid suspension stability and transport through unsaturated porous media

    International Nuclear Information System (INIS)

    McGraw, M.A.; Kaplan, D.I.

    1997-04-01

    Contaminant transport is traditionally modeled in a two-phase system: a mobile aqueous phase and an immobile solid phase. Over the last 15 years, there has been an increasing awareness of a third, mobile solid phase. This mobile solid phase, or mobile colloids, are organic or inorganic submicron-sized particles that move with groundwater flow. When colloids are present, the net effect on radionuclide transport is that radionuclides can move faster through the system. It is not known whether mobile colloids exist in the subsurface environment of the Hanford Site. Furthermore, it is not known if mobile colloids would likely exist in a plume emanating from a Low Level Waste (LLW) disposal site. No attempt was made in this study to ascertain whether colloids would form. Instead, experiments and calculations were conducted to evaluate the likelihood that colloids, if formed, would remain in suspension and move through saturated and unsaturated sediments. The objectives of this study were to evaluate three aspects of colloid-facilitated transport of radionuclides as they specifically relate to the LLW Performance Assessment. These objectives were: (1) determine if the chemical conditions likely to exist in the near and far field of the proposed disposal site are prone to induce flocculation (settling of colloids from suspension) or dispersion of naturally occurring Hanford colloids, (2) identify the important mechanisms likely involved in the removal of colloids from a Hanford sediment, and (3) determine if colloids can move through unsaturated porous media

  14. Accumulation of macular xanthophylls in unsaturated membrane domains.

    Science.gov (United States)

    Wisniewska, Anna; Subczynski, Witold K

    2006-05-15

    The distribution of macular xanthophylls, lutein and zeaxanthin, between domains formed in membranes made from an equimolar ternary mixture of dioleoylphosphatidylcholine/sphingomyelin/cholesterol, called a raft-forming mixture, was investigated. In these membranes, two domains are formed: the raft domain enriched in saturated lipids and cholesterol (detergent-resistant membranes, DRM), and the bulk domain enriched in unsaturated lipids (detergent-soluble membranes, DSM). These membrane domains have been separated using cold Triton X-100 extraction from membranes containing 1 mol% of either lutein or zeaxanthin. The results indicated that xanthophylls are substantially excluded from DRM and remain concentrated in DSM. Concentrations of xanthophylls in DRM and DSM calculated as the mole ratio of either xanthophyll to phospholipid were 0.005 and 0.03, respectively, and calculated as the mole ratio of either xanthophyll to total lipid (phospholipid + cholesterol) were 0.003 and 0.025, respectively. Thus, xanthophylls are over eight times more concentrated in DSM than in DRM. No significant difference in the distribution of lutein and zeaxanthin was found. It was also demonstrated using saturation-recovery EPR that at 1 mol%, neither lutein nor zeaxanthin affect the formation of membrane domains. The location of xanthophylls in domains formed from unsaturated lipids is ideal if they are to act as a lipid antioxidant, which is the most accepted mechanism through which lutein and zeaxanthin protect the retina from age-related macular diseases.

  15. A mathematical model in charactering chloride diffusivity in unsaturated cementitious material

    NARCIS (Netherlands)

    Zhang, Y.; Ye, G.; Pecur, I.B.; Baricevic, A.; Stirmer, N; Bjegovic, D.

    2017-01-01

    In this paper, a new analytic model for predicting chloride diffusivity in unsaturated cementitious materials is developed based on conductivity theory and Nernst-Einstein equation. The model specifies that chloride diffusivity in unsaturated cementitious materials can be mathematically described as

  16. Sensitivity Analysis of Unsaturated Flow and Contaminant Transport with Correlated Parameters

    Science.gov (United States)

    Relative contributions from uncertainties in input parameters to the predictive uncertainties in unsaturated flow and contaminant transport are investigated in this study. The objectives are to: (1) examine the effects of input parameter correlations on the sensitivity of unsaturated flow and conta...

  17. Reactive distillation: an attractive alternative for the synthesis of unsaturated polyester

    NARCIS (Netherlands)

    Shah, M.R.; Zondervan, E.; Oudshoorn, M.L.; Haan, de A.B.

    2011-01-01

    Unsaturated polyester is traditionally produced in a batch wise operating reaction vessel connected to a distillation unit. An attractive alternative for the synthesis of unsaturated polyester is a reactive distillation. To value such alternative synthesis route reliable process models need to be

  18. Nitrate transport and transformation processes in unsaturated porous media

    Science.gov (United States)

    Tindall, James A.; Petrusak, Robin L.; McMahon, Peter B.

    1995-01-01

    A series of experiments was conducted on two contrasting agricultural soils to observe the influence of soil texture, preferential flow, and plants on nitrate transport and denitrification under unsaturated conditions. Calcium nitrate fertilizer was applied to the surface of four large undisturbed soil cores (30 cm diameter by 40 cm height). Two of the cores were a structured clay obtained from central Missouri and two were an unstructured fine sand obtained from central Florida. The cores were irrigated daily and maintained at a matric potential of -20 kPa, representative of soil tension in the rooting zone of irrigated agricultural fields. Volumetric water content (θ), concentration of nitrate-N in the soil solution, and nitrous oxide flux at the surface, 10, 20, and 30 cm were monitored daily. Leaching loss of surface-applied N03− -N was significant in both the sand and the clay. In unplanted sand cores, almost all of the applied nitrate was leached below 30 cm within 10 days. Gaseous N loss owing to denitrification was no greater than 2% of the nitrate-N applied to the unplanted sand cores and, in general, was less than 1 %. Although leaching was somewhat retarded in the clay cores, about 60% of the applied nitrate-N was leached from the unplanted clay soil in 5–6 weeks. Under unsaturated conditions, the clay had little to no tendency to denitrify despite the greater moisture content of the clay and retarded leaching of nitrate in the clay. The planted sand cores had surprisingly large gaseous N loss owing to denitrification, as much as 17% of the nitrate-N. Results from both the clay and sand experiments show that the dynamics of nitrate transport and transformation in unsaturated soils are affected by small, localized variations in the soil moisture content profile, the gaseous diffusion coefficient of the soil, the rate at which the nitrate pulse passes through the soil, the solubility of N2O and N2 and the diffusion of the gasses through the soil

  19. Water Drainage from Unsaturated Soils in a Centrifuge Permeameter

    Science.gov (United States)

    Ornelas, G.; McCartney, J.; Zhang, M.

    2013-12-01

    This study involves an analysis of water drainage from an initially saturated silt layer in a centrifuge permeameter to evaluate the hydraulic properties of the soil layer in unsaturated conditions up to the point where the water phase becomes discontinuous. These properties include the soil water retention curve (SWRC) and the hydraulic conductivity function (HCF). The hydraulic properties of unsaturated silt are used in soil-atmosphere interaction models that take into account the role of infiltration and evaporation of water from soils due to atmospheric interaction. These models are often applied in slope stability analyses, landfill cover design, aquifer recharge analyses, and agricultural engineering. The hydraulic properties are also relevant to recent research concerning geothermal heating and cooling, as they can be used to assess the insulating effects of soil around underground heat exchangers. This study employs a high-speed geotechnical centrifuge to increase the self-weight of a compacted silt specimen atop a filter plate. Under a centrifuge acceleration of N times earth's gravity, the concept of geometric similitude indicates that the water flow process in a small-scale soil layer will be similar to those in a soil layer in the field that is N times thicker. The centrifuge acceleration also results in an increase in the hydraulic gradient across the silt specimen, which causes water to flow out of the pores following Darcy's law. The drainage test was performed until the rate of liquid water flow out of the soil layer slowed to a negligible level, which corresponds to the transition point at which further water flow can only occur due to water vapor diffusion following Fick's law. The data from the drainage test in the centrifuge were used to determine the SWRC and HCF at different depths in the silt specimen, which compared well with similar properties defined using other laboratory tests. The transition point at which liquid water flow stopped (and

  20. Flame Retardance and Physical Properties of Novel Cured Blends of Unsaturated Polyester and Furan Resins

    Directory of Open Access Journals (Sweden)

    Baljinder Kaur Kandola

    2015-02-01

    Full Text Available Novel blends of two furan resins with an unsaturated polyester have been prepared and cured by parallel free radical (for the unsaturated polyester and acid-catalysed crosslinking (for the furan resin to give co-cured composite materials. Although these materials have inferior physical properties, such as low Tg and low storage modulus compared with those of unsaturated polyester and furan resins alone, they show markedly improved flame retardance compared with that of the normally highly flammable unsaturated polyester. This increased flame retardance arises from a condensed phase mechanism in which the furanic component forms a semi-protective char, reducing rates of thermal degradation and total heat release and heat of combustion. The blends also burn with reduced smoke output compared with that from unsaturated polyester alone.

  1. Regional transit coordination guidebook.

    Science.gov (United States)

    2009-01-01

    Constant growth in rural areas and extensive suburban development have contributed to increasingly more people needing seamless and adequate public transportation into and from nearby cities. Coordinating existing services or determining the need for...

  2. Supercritical Airfoil Coordinates

    Data.gov (United States)

    National Aeronautics and Space Administration — Rectangular Supercritical Wing (Ricketts) - design and measured locations are provided in an Excel file RSW_airfoil_coordinates_ricketts.xls . One sheet is with Non...

  3. Developmental coordination disorder

    Science.gov (United States)

    Developmental coordination disorder can lead to: Learning problems Low self-esteem resulting from poor ability at sports and teasing by other children Repeated injuries Weight gain as a result of not wanting to participate ...

  4. Environmental Compliance Issue Coordination

    Science.gov (United States)

    An order to establish the Department of Energy (DOE) requirements for coordination of significant environmental compliance issues to ensure timely development and consistent application of Departmental environmental policy and guidance

  5. Data Management Coordinators (DMC)

    Science.gov (United States)

    The Regional Data Management Coordinators (DMCs) were identified to serve as the primary contact for each region for all Water Quality Framework activities. They will facilitate and communicate information to the necessary individuals at the region and tra

  6. Coordinating Work with Groupware

    DEFF Research Database (Denmark)

    Pors, Jens Kaaber; Simonsen, Jesper

    2003-01-01

    One important goal of employing groupware is to make possible complex collaboration between geographically distributed groups. This requires a dual transformation of both technology and work practice. The challenge is to re­duce the complexity of the coordination work by successfully inte....... Using the CSCW frame­work of coordination mechanisms, we have elicited six general factors influencing the integration of the groupware application in two situations....

  7. Luminescent lanthanide coordination polymers

    Energy Technology Data Exchange (ETDEWEB)

    Ma, L.; Evans, O.R.; Foxman, B.M.; Lin, W.

    1999-12-13

    One-dimensional lanthanide coordination polymers with the formula Ln(isonicotinate){sub 3}(H{sub 2}O){sub 2} (Ln = Ce, Pr, Nd, Sm, Eu, Tb; 1a-f) were synthesized by treating nitrate or perchlorate salts of Ln(III) with 4-pyridinecarboxaldehyde under hydro(solvo)thermal conditions. Single-crystal and powder X-ray diffraction studies indicate that these lanthanide coordination polymers adopt two different structures. While Ce(III), Pr(III), and Nd(III) complexes adopt a chain structure with alternating Ln-(carboxylate){sub 2}-Ln and Ln-(carboxylate){sub 4}-Ln linkages, Sm(III), Eu(III), and Tb(III) complexes have a doubly carboxylate-bridged infinite-chain structure with one chelating carboxylate group on each metal center. In both structures, the lanthanide centers also bind to two water molecules to yield an eight-coordinate, square antiprismatic geometry. The pyridine nitrogen atoms of the isonicotinate groups do not coordinate to the metal centers in these lanthanide(III) complexes; instead, they direct the formation of Ln(III) coordination polymers via hydrogen bonding with coordinated water molecules. Photoluminescence measurements show that Tb(isonicotinate){sub 3}(H{sub 2}O){sub 2} is highly emissive at room temperature with a quantum yield of {approximately}90%. These results indicate that highly luminescent lanthanide coordination polymers can be assembled using a combination of coordination and hydrogen bonds. Crystal data for 1a: monoclinic space group P2{sub 1}/c, a = 9.712(2) {angstrom}, b = 19.833(4) {angstrom}, c = 11.616(2) {angstrom}, {beta} = 111.89(3){degree}, Z = 4. Crystal data for 1f: monoclinic space group C2/c, a = 20.253(4) {angstrom}, b = 11.584(2) {angstrom}, c = 9.839(2) {angstrom}, {beta} = 115.64(3){degree}, Z = 8.

  8. Coordinate-invariant regularization

    International Nuclear Information System (INIS)

    Halpern, M.B.

    1987-01-01

    A general phase-space framework for coordinate-invariant regularization is given. The development is geometric, with all regularization contained in regularized DeWitt Superstructures on field deformations. Parallel development of invariant coordinate-space regularization is obtained by regularized functional integration of the momenta. As representative examples of the general formulation, the regularized general non-linear sigma model and regularized quantum gravity are discussed. copyright 1987 Academic Press, Inc

  9. Recent advances in the chemical modification of unsaturated polymers

    Science.gov (United States)

    Schulz, D. N.; Turner, S. R.; Golub, M. A.

    1982-01-01

    The present discussion has the objective to update the most comprehensive reviews on the considered subject and to fill in the gaps of less complete, but more modern treatments. Only simple chemical functionalization or structural modification of unsaturated polymers are covered, and the literature of diene polymer modification since 1974 is emphasized. Attention is given to hydrogenation, halogenation and hydrohalogenation, cyclization, cis-trans isomerization, epoxidation, ene and other cycloaddition reactions, sulfonation, carboxylation, phosphonylation, sulfenyl chloride addition, carbene addition, metalation, and silylation. It is pointed out that modern synthetic reagents and catalysts have been advantageously employed to improve process and/or product quality. Synthetic techniques have been refined to allow the selective modification of specific polymer microstructures or blocks.

  10. Water repellent soils: the case for unsaturated soil mechanics

    Directory of Open Access Journals (Sweden)

    Beckett Christopher

    2016-01-01

    Full Text Available Water repellent (or “hydrophobic” or “non-wetting” soils have been studied by soil scientists for well over a century. These soils are typified by poor water infiltration, which leads to increased soil erosion and poor crop growth. However, the importance of water repellence on determining soil properties is now becoming recognised by geotechnical engineers. Water repellent soils may, for example, offer novel solutions for the design of cover systems overlying municipal or mine waste storage facilities. However, investigations into factors affecting their mechanical properties have only recently been initiated. This purpose of this paper is to introduce geotechnical engineers to the concept of water repellent soils and to discuss how their properties can be evaluated under an unsaturated soils framework. Scenarios in which water repellent properties might be relevant in geotechnical applications are presented and methods to quantify these properties in the laboratory and in the field examined.

  11. Geophysical borehole logging in the unsaturated zone, Yucca Mountain, Nevada

    International Nuclear Information System (INIS)

    Schimschal, U.; Nelson, P.H.

    1991-01-01

    Borehole geophysical logging for site characterization in the volcanic rocks at the proposed nuclear waste repository at Yucca Mountain, Nevada, requires data collection under rather unusual conditions. Logging tools must operate in rugose, dry holes above the water table in the unsaturated zone. Not all logging tools will operate in this environment, therefore; careful consideration must be given to selection and calibration. A sample suite of logs is presented that demonstrates correlation of geological formations from borehole to borehole, the definition of zones of altered mineralogy, and the quantitative estimates of rock properties. The authors show the results of an exploratory calculation of porosity and water saturation based upon density and epithermal neutron logs. Comparison of the results with a few core samples is encouraging, particularly because the logs can provide continuous data in boreholes where core samples are not available

  12. Evolution of the unsaturated zone testing at Yucca Mountain

    International Nuclear Information System (INIS)

    Wang, J.S.Y.; Bodvarsson, G.S.

    2002-01-01

    The evaluation of the Yucca Mountain site has evolved from intensive surface based investigations in the early 1980s to current focus on testing in underground drifts. Different periods of site-characterization activities and prominent issues concerning the unsaturated zone are summarized. Data-collection activities have evolved from mapping of faults and fractures, to estimation of percolation through tuff layers, and to quantification of seepage into drifts. Evaluation of discrete flow paths in drifts has led to fracture-matrix interaction and matrix diffusion tests over different scales. The effects of tuff interfaces and local faults are evaluated in fractured-welded and porous-nonwelded units. Mobilization of matrix water and redistribution of moisture are measured in thermal tests. Lessons learned from underground tests are used to focus on processes needed for additional quantification. Migration through the drift shadow zone and liquid flow through faults are two important issues that have evolved from current knowledge

  13. In situ measurements of oxygen dynamics in unsaturated archaeological deposits

    DEFF Research Database (Denmark)

    Matthiesen, Henning; Hollesen, Jørgen; Dunlop, Rory

    2015-01-01

    Oxygen is a key parameter in the degradation of archaeological material, but little is known of its dynamics in situ. In this study, 10 optical oxygen sensors placed in a 2 m deep test pit in the cultural deposits at Bryggen in Bergen have monitored oxygen concentrations every half hour for more ...... of the soil exceeds 10–15% vol, while oxygen dissolved in infiltrating rainwater is of less importance for the supply of oxygen in the unsaturated zone....... than a year. It is shown that there is a significant spatial and temporal variation in the oxygen concentration, which is correlated to measured soil characteristics, precipitation, soil water content and degradation of organic material. In these deposits oxygen typically occurs when the air content...

  14. Polluted soil leaching: unsaturated conditions and flow rate effects

    Directory of Open Access Journals (Sweden)

    Chourouk Mathlouthi

    2017-04-01

    Full Text Available In this study, soil samples are extracted from a polluted site at different depths. Soils texture and pollutant presence are different with depth. Preliminary analyzes showed pollution by heavy metals. To simulate soil leaching operation in static condition, a series of leaching tests are conducted in laboratory column under conditions of upflow unsaturated soil. Electrical conductivity and pH measurements on the recovered leachate are performed. Different flow rates are tested. Comparison of different profiles shows that the dissolved pollutants are concentrated in the upper soil levels and disperse weakly in the lower parts which confirm the nature of anthropogenic pollution of heavy metals. Water mobilizes a high amount of dissolved ionic substances up to 80% of the initial concentration. The increase in flow rate requires more pore volume injected to achieve the maximum clearance rate. The down flow condition extracts a small amount of dissolved substances.

  15. Determination of hydraulic properties of unsaturated soil via inverse modeling

    International Nuclear Information System (INIS)

    Kodesova, R.

    2004-01-01

    The method for determining the hydraulic properties of unsaturated soil with inverse modeling is presented. A modified cone penetrometer has been designed to inject water into the soil through a screen, and measure the progress of the wetting front with two tensiometer rings positioned above the screen. Cumulative inflow and pressure head readings are analyzed to obtain estimates of the hydraulic parameters describing K(h) and θ(h). Optimization results for tests at one side are used to demonstrate the possibility to evaluate either the wetting branches of the soil hydraulic properties, or the wetting and drying curves simultaneously, via analysis of different parts of the experiment. The optimization results are compared to the results of standard laboratory and field methods. (author)

  16. Laboratory experiments to characterize radiochloride diffusion in unsaturated soils

    Energy Technology Data Exchange (ETDEWEB)

    Aldaba, D.; Fernandez-Torrent, R.; Rauret, G.; Vidal, M. [Departament de Quimica Analitica, Universitat de Barcelona, Marti i Franques 1-11, 08028 Barcelona (Spain); Rigol, A. [Departament de Quimica Analitica, Universitat de Barcelona, Marti i Franques 1-11, 08028 Barcelona (Spain)], E-mail: annarigol@ub.edu

    2010-03-15

    Diffusion transport of {sup 36}Cl was examined in seven soils under unsaturated conditions in tubes packed with two portions of each soil having different {sup 36}Cl activity concentrations. Apparent diffusion coefficients (D{sub a}) derived from diffusion profiles varied within a narrow range (from 3x10{sup -10} to 7x10{sup -10} m{sup 2} s{sup -1}) confirming the minor effect of soil properties on the diffusion of a non-reactive radionuclide like {sup 36}Cl. Instead, packing conditions had a major effect. Solid-liquid distribution coefficients (K{sub d}) derived from D{sub a} (0.02-0.2 L kg{sup -1}) were systematically lower than those obtained from batch experiments (0.6-1.0 L kg{sup -1}), but with a similar variation pattern among soils. The low values of K{sub d} (Cl) confirmed an almost negligible radiochloride-soil interaction.

  17. The unsaturated flow in porous media with dynamic capillary pressure

    Science.gov (United States)

    Milišić, Josipa-Pina

    2018-05-01

    In this paper we consider a degenerate pseudoparabolic equation for the wetting saturation of an unsaturated two-phase flow in porous media with dynamic capillary pressure-saturation relationship where the relaxation parameter depends on the saturation. Following the approach given in [13] the existence of a weak solution is proved using Galerkin approximation and regularization techniques. A priori estimates needed for passing to the limit when the regularization parameter goes to zero are obtained by using appropriate test-functions, motivated by the fact that considered PDE allows a natural generalization of the classical Kullback entropy. Finally, a special care was given in obtaining an estimate of the mixed-derivative term by combining the information from the capillary pressure with the obtained a priori estimates on the saturation.

  18. Unsaturated flow and transport research questions and priorities

    International Nuclear Information System (INIS)

    Chery, D.L.

    1993-01-01

    A little over two years ago, a similar meeting (Workshop IV - Flow and Transport through Unsaturated Fractured Rock; Related to High-Level Radioactive Waste Disposal) was held her in Tucson, Arizona, to discuss the same issues discussed here the past 4 days. This presentation revisits what was said 2 years ago, reviews research needs that have been articulated by the licensing staff of the Division of High-Level Waste Management, Nuclear Regulatory Commission, and presents some of the thoughts on research needs resulting from the deliberations of a special committee of the National Research Council. After considering these aspects the questions of what has been accomplished in the past 2 years and where attention and energies should be focused in the coming few years, can be asked. 3 refs

  19. Field research program for unsaturated flow and transport experimentation

    International Nuclear Information System (INIS)

    Tidwell, V.C.; Rautman, C.A.; Glass, R.J.

    1992-01-01

    As part of the Yucca Mountain Site Characterization Project, a field research program has been developed to refine and validate models for flow and transport through unsaturated fractured rock. Validation of these models within the range of their application for performance assessment requires a more sophisticated understanding of the processes that govern flow and transport within fractured porous media than currently exists. In particular, our research is prioritized according to understanding and modeling processes that, if not accurately incorporated into performance assessment models, would adversely impact the project's ability to evaluate repository performance. For this reason, we have oriented our field program toward enhancing our understanding of scaling processes as they relate to effective media property modeling, as well as to the conceptual modeling of complex flow and transport phenomena

  20. Magnetic Coordinate Systems

    Science.gov (United States)

    Laundal, K. M.; Richmond, A. D.

    2017-03-01

    Geospace phenomena such as the aurora, plasma motion, ionospheric currents and associated magnetic field disturbances are highly organized by Earth's main magnetic field. This is due to the fact that the charged particles that comprise space plasma can move almost freely along magnetic field lines, but not across them. For this reason it is sensible to present such phenomena relative to Earth's magnetic field. A large variety of magnetic coordinate systems exist, designed for different purposes and regions, ranging from the magnetopause to the ionosphere. In this paper we review the most common magnetic coordinate systems and describe how they are defined, where they are used, and how to convert between them. The definitions are presented based on the spherical harmonic expansion coefficients of the International Geomagnetic Reference Field (IGRF) and, in some of the coordinate systems, the position of the Sun which we show how to calculate from the time and date. The most detailed coordinate systems take the full IGRF into account and define magnetic latitude and longitude such that they are constant along field lines. These coordinate systems, which are useful at ionospheric altitudes, are non-orthogonal. We show how to handle vectors and vector calculus in such coordinates, and discuss how systematic errors may appear if this is not done correctly.

  1. Influence of the molecular structure on hydrolysability of unsaturated polyesters

    International Nuclear Information System (INIS)

    Pays, M.F.; Denis, V.

    1993-09-01

    EDF has decided to replace conventional materials by glass reinforced plastics for certain PWR water distribution systems (raw water system, essential service water system, firefighting water distribution system, etc...). Since steel corrodes rapidly in these pipings, introducing composite materials will be economically beneficial if the long-term resistance of these materials can be guaranteed. However, due to hydrolysis of the resin or of the fiber-matrix interface, composite materials deteriorations may occur during service life. This paper reports on the hydrolysis resistance of polyester and vinylester resins. - Model monomers were studied to relate the molecular structure to the hydrolysis resistance. Two ester categories were determined, the diacids and the diols. For the diacids, we obtained the following classification in increasing order of resistance: < maleates < ethoxysuccinates < succinates < fumerates < terephtalates < orthophtalates < isophtalates and for the diols: trioxyethylene glycol << butane diol ∼ ethylene glycol < neopentyl glycol < bisphenol A. The positions obtained for neopentyl glycol and isophtalic acid on this scale justify their inclusion in the formulation of hydrolysis-resistant resins. Since aliphatic unsaturated esters are highly sensitive to hydrolysis, the cross linking procedures for these materials, notably the post-cure stages, must be the subject of particular care. - The hydrolytic degradation of cross linked materials was studied. It was shown that hydrolysis could be monitored by a simple gravimetric method. Used in association with accelerated aging tests, it predicts the time lapse to initiation of the phenomenon. The better hydrolysis resistance of vinylester resins as compared with unsaturated polyesters has been demonstrated. However, forecasting over a 30-year life span is difficult to guarantee in that this involves indicating in the resin specifications the in-service stress which it will be required to

  2. Experimental Determination of Hydraulic Properties of Unsaturated Calcarenites

    Science.gov (United States)

    Turturro, Antonietta Celeste; Andriani, Gioacchino Francesco; Clementina Caputo, Maria; Maggi, Sabino

    2013-04-01

    Understanding hydraulic properties is essential in the modeling of flow and solute transport through the vadose zone, to which problems of soil and groundwater pollution are related. The vadose zone, in fact, is of great importance in controlling groundwater recharge and transport of contaminants into and through the subsoil. The aim of this work is to determine experimentally in laboratory the hydraulic properties of unsaturated calcarenites using an approach including petrophysical determinations and methods for measuring water retention. For this purpose, samples of calcarenites belonging to the Calcarenite di Gravina Fm.(Pliocene-early Pleistocene), came from two different quarry districts located in Southern Italy (Canosa di Puglia and Massafra), were utilized. The water retention function, θ(h), which binds the water content, θ, to water potential, h, was determined in the laboratory by means two different experimental methods: the WP4-T psychrometer and the suction table. At last, a simple mathematical equation represented by van Genuchten's model is fitted to the experimental data and the unknown empirical parameters of this model are determined. Textural analysis on thin sections using optical petrographic microscopy and evaluation of total and effective porosity by means of standard geotechnical laboratory tests, mercury intrusion porosimetry and image analysis were also performed. In particular, a comparison between mercury porosimetry data and results of photomicrograph computer analysis through the methods of quantitative stereology was employed for providing pore size distributions. The results of this study identify the relationship between the hydraulic behavior, described by the water retention function, and pore size distribution for the calcarenites that are not easy to hydraulically characterize. This relationship could represent a useful tool to infer the unsaturated hydraulic properties of calcarenites and in general this approach could be

  3. Hydrogenation of the alpha,beta-Unsaturated Aldehydes Acrolein, Crotonaldehyde, and Prenal over Pt Single Crystals: A Kinetic and Sum-Frequency Generation Vibrational Spectroscopy Study

    Energy Technology Data Exchange (ETDEWEB)

    Kliewer, C.J.; Somorjai, G.A.

    2008-11-26

    Sum-frequency generation vibrational spectroscopy (SFG-VS) and kinetic measurements using gas chromatography have been used to study the surface reaction intermediates during the hydrogenation of three {alpha},{beta}-unsaturated aldehydes, acrolein, crotonaldehyde, and prenal, over Pt(111) at Torr pressures (1 Torr aldehyde, 100 Torr hydrogen) in the temperature range of 295K to 415K. SFG-VS data showed that acrolein has mixed adsorption species of {eta}{sub 2}-di-{sigma}(CC)-trans, {eta}{sub 2}-di-{sigma}(CC)-cis as well as highly coordinated {eta}{sub 3} or {eta}{sub 4} species. Crotonaldehyde adsorbed to Pt(111) as {eta}{sub 2} surface intermediates. SFG-VS during prenal hydrogenation also suggested the presence of the {eta}{sub 2} adsorption species, and became more highly coordinated as the temperature was raised to 415K, in agreement with its enhanced C=O hydrogenation. The effect of catalyst surface structure was clarified by carrying out the hydrogenation of crotonaldehyde over both Pt(111) and Pt(100) single crystals while acquiring the SFG-VS spectra in situ. Both the kinetics and SFG-VS showed little structure sensitivity. Pt(100) generated more decarbonylation 'cracking' product while Pt(111) had a higher selectivity for the formation of the desired unsaturated alcohol, crotylalcohol.

  4. Investigations of the unsaturated zone at two radioactive waste disposal sites in Lithuania.

    Science.gov (United States)

    Skuratovič, Žana; Mažeika, Jonas; Petrošius, Rimantas; Martma, Tõnu

    2016-01-01

    The unsaturated zone is an important part of the water cycle, governed by many hydrological and hydrogeological factors and processes and provide water and nutrients to the terrestrial ecosystem. Besides, the soils of the unsaturated zone are regarded as the first natural barrier to a large extent and are able to limit the spread of contaminants depending on their properties. The unsaturated zone provides a linkage between atmospheric moisture, groundwater, and seepage of groundwater to streams, lakes, or other surface water bodies. The major difference between water flow in saturated and unsaturated soils is that the hydraulic conductivity, which is conventionally assumed to be a constant in saturated soils, is a function of the degree of saturation or matrix suction in the unsaturated soils. In Lithuania, low and intermediate level radioactive wastes generated from medicine, industry and research were accumulated at the Maisiagala radioactive waste repository. Short-lived low and intermediate levels radioactive waste, generated during the operation of the Ignalina Nuclear Power Plant (INPP) and arising after the INPP decommissioning will be disposed of in the near surface repository close to the INPP (Stabatiske site). Extensive data sets of the hydraulic properties and water content attributed to unsaturated zone soil profiles of the two radioactive waste disposal sites have been collected and summarized. Globally widespread radionuclide tritium ((3)H) and stable isotope ratio ((18)O/(16)O and (2)H/(1)H) distribution features were determined in precipitation, unsaturated zone soil moisture profiles and groundwater.

  5. Estimating the Spatial Extent of Unsaturated Zones in Heterogeneous River-Aquifer Systems

    Science.gov (United States)

    Schilling, Oliver S.; Irvine, Dylan J.; Hendricks Franssen, Harrie-Jan; Brunner, Philip

    2017-12-01

    The presence of unsaturated zones at the river-aquifer interface has large implications on numerous hydraulic and chemical processes. However, the hydrological and geological controls that influence the development of unsaturated zones have so far only been analyzed with simplified conceptualizations of flow processes, or homogeneous conceptualizations of the hydraulic conductivity in either the aquifer or the riverbed. We systematically investigated the influence of heterogeneous structures in both the riverbed and the aquifer on the development of unsaturated zones. A stochastic 1-D criterion that takes both riverbed and aquifer heterogeneity into account was developed using a Monte Carlo sampling technique. The approach allows the reliable estimation of the upper bound of the spatial extent of unsaturated areas underneath a riverbed. Through systematic numerical modeling experiments, we furthermore show that horizontal capillary forces can reduce the spatial extent of unsaturated zones under clogged areas. This analysis shows how the spatial structure of clogging layers and aquifers influence the propensity for unsaturated zones to develop: In riverbeds where clogged areas are made up of many small, spatially disconnected patches with a diameter in the order of 1 m, unsaturated areas are less likely to develop compared to riverbeds where large clogged areas exist adjacent to unclogged areas. A combination of the stochastic 1-D criterion with an analysis of the spatial structure of the clogging layers and the potential for resaturation can help develop an appropriate conceptual model and inform the choice of a suitable numerical simulator for river-aquifer systems.

  6. Analyzing Unsaturated Flow Patterns in Fractured Rock Using an Integrated Modeling Approach

    International Nuclear Information System (INIS)

    Y.S. Wu; G. Lu; K. Zhang; L. Pan; G.S. Bodvarsson

    2006-01-01

    Characterizing percolation patterns in unsaturated fractured rock has posed a greater challenge to modeling investigations than comparable saturated zone studies, because of the heterogeneous nature of unsaturated media and the great number of variables impacting unsaturated flow. This paper presents an integrated modeling methodology for quantitatively characterizing percolation patterns in the unsaturated zone of Yucca Mountain, Nevada, a proposed underground repository site for storing high-level radioactive waste. The modeling approach integrates a wide variety of moisture, pneumatic, thermal, and isotopic geochemical field data into a comprehensive three-dimensional numerical model for modeling analyses. It takes into account the coupled processes of fluid and heat flow and chemical isotopic transport in Yucca Mountain's highly heterogeneous, unsaturated fractured tuffs. Modeling results are examined against different types of field-measured data and then used to evaluate different hydrogeological conceptualizations and their results of flow patterns in the unsaturated zone. In particular, this model provides a much clearer understanding of percolation patterns and flow behavior through the unsaturated zone, both crucial issues in assessing repository performance. The integrated approach for quantifying Yucca Mountain's flow system is demonstrated to provide a practical modeling tool for characterizing flow and transport processes in complex subsurface systems

  7. Seismic response of earth dams considering dynamic properties of unsaturated zone

    Directory of Open Access Journals (Sweden)

    Ariyan M.

    2016-01-01

    Full Text Available It is conventionally assumed in the analysis and design of earth dams that the soil located above the phreatic line, i.e. the uppermost seepage flow line, is completely dry. However, there is often an unsaturated flow of water through an unsaturated zone above this borderline and variation in moisture content in this zone results in variation of matric suction throughout this region. Variation of matric suction, in turn, results in variation of effective stresses in this zone. In this research, the seismic response of earth dams in terms of the displacement and acceleration at the crown of the dam as well as the stress distribution in the dam body is investigated. Taking into account the effect of unsaturated zone, a comparison is made to investigate the effect of conventional simplification in ignoring the dynamic characteristics of the unsaturated zone above the phreatic line and the more complicated analysis which includes the unsaturated zone. A function for the soil-water retention curve (SWRC was assigned to the soil in the unsaturated zone to determine the variation of matric suction in this zone and analyses were made using finite difference software (FLAC. Results are then compared to the conventional method for homogeneous dams. In these analyzes the soil shear modulus was assumed to vary with the mean effective stress both for saturated and unsaturated zones. Among various results, it was notable that the history of crest x-displacement, and acceleration show higher values in models accounting for the unsaturated region. It was attributed to the considerably lower values of damping ratio in the crest region in the unsaturated models.

  8. [Binocular coordination during reading].

    Science.gov (United States)

    Bassou, L; Granié, M; Pugh, A K; Morucci, J P

    1992-01-01

    Is there an effect on binocular coordination during reading of oculomotor imbalance (heterophoria, strabismus and inadequate convergence) and of functional lateral characteristics (eye preference and perceptually privileged visual laterality)? Recordings of the binocular eye-movements of ten-year-old children show that oculomotor imbalances occur most often among children whose left visual perceptual channel is privileged, and that these subjects can present optomotor dissociation and manifest lack of motor coordination. Close binocular motor coordination is far from being the norm in reading. The faster reader displays saccades of differing spatial amplitude and the slower reader an oculomotor hyperactivity, especially during fixations. The recording of binocular movements in reading appears to be an excellent means of diagnosing difficulties related to visual laterality and to problems associated with oculomotor imbalance.

  9. Thermodynamics of U(VI) and Eu(III) complexation by unsaturated carboxylates

    Energy Technology Data Exchange (ETDEWEB)

    Rawat, Neetika; Bhattacharyya, A. [Radiochemistry Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Tomar, B.S., E-mail: bstomar@barc.gov.in [Radiochemistry Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Ghanty, T.K. [Theoretical Chemistry Section, Bhabha Atomic Research Centre, Mumbai 400085 (India); Manchanda, V.K. [Radiochemistry Division, Bhabha Atomic Research Centre, Mumbai 400085 (India)

    2011-05-10

    Highlights: {yields} {Delta}H and log K determined for U(VI) and Eu(III) complexes with maleate and fumarate. {yields} log K and coordination environment of Eu(III) complexes has been studied by TRFS. {yields} Higher log K of U(VI) complexes than Eu(III) complexes is due to higher entropy. {yields} Plot of log K vs log K{sub P} suggest charge polarization in fumarate complexes. {yields} Ab initio calculations support charge polarization in fumarate complexes. - Abstract: The thermodynamic parameters ({Delta}G, {Delta}H and {Delta}S) of complexation of U(VI) and Eu(III) by unsaturated dicarboxylic acids, namely, maleic and fumaric acid, has been determined by potentiometric and microcalorimetric titrations at fixed ionic strength (I = 1.0 M) and temperature (298 K). The results show formation of 1:1 complexes by both the ligands with Eu(III). In the case of U(VI), maleate forms both 1:1 and 1:2 complexes, while only 1:1 complex was formed with fumarate. The fluorescence emission spectra of Eu(III)-dicarboxylate solutions at varying ligand to metal ratio were also used to obtain their stability constants. In addition, the fluorescence lifetimes reveal higher dehydration of Eu(III)-maleate compared to Eu(III)-fumarate which corroborates the {Delta}S values. The thermodynamic quantities suggest charge polarization effects in the case of U(VI) and Eu(III) complexes of fumarate, which is further corroborated by theoretical calculations. For the same ligand, U(VI) complexes were found to be more stable which was mainly due to higher entropy term.

  10. A study on in-situ measuring method and modeling technique of an unsaturated zone

    Energy Technology Data Exchange (ETDEWEB)

    Imai, Hisashi [Hazama Corp., Tsukuba, Ibaraki (Japan). Technical Research Inst.; Amemiya, Kiyoshi; Nishida, Kaoru; Lin, Weiren; Lei, Xinglin

    1997-03-01

    It is generally considered that an unsaturated zone is generated in the vicinity of a drift after excavation. In such a zone, invasion of air containing oxygen possibly changes geochemical environment (redox condition) of the rock mass. However, no measurement technique for quantitative understanding of this unsaturated zone is currently available. This study has been started to develop the measuring method in the several years. This year, fundamental information has been obtained through analysis, laboratory experiments using homogeneous rock samples and field measurement described below. (1) experiments on the mechanism of undersaturation in rock. (2) experiments on the measuring method of the extend of unsaturated zone. (author)

  11. Effect of Unsaturated Flow on Delayed Response of Unconfined Aquifiers to Pumping

    Science.gov (United States)

    Tartakovsky, G.; Neuman, S. P.

    2005-12-01

    A new analytical solution is presented for the delayed response process characterizing flow to a partially penetrating well in an unconfined aquifer. The new solution generalizes that of Neuman [1972, 1974] by accounting for unsaturated flow above the water table. Axially symmetric three-dimensional flow in the unsaturated zone is described by a linearized version of Richards' equation in which hydraulic conductivity and water content vary exponentially with incremental capillary pressure head relative to its air entry value (defining the interface between the saturated and unsaturated zones). Unsaturated soil properties are characterized by an exponent κ having the dimension of inverse length and a dimensionless exponent κD = κb where b is initial saturated thickness. Our treatment of the unsaturated zone is similar to that of Kroszynski and Dagan [1975] who however have ignored internal (artesian) aquifer storage. It has been suggested by Boulton [1954, 1963, 1970] and Neuman [1972, 1974], and is confirmed by our solution, that internal storage is required to reproduce the early increase in drawdown characterizing delayed response to pumping in typical aquifers. According to our new solution such aquifers are characterized by relatively large κ_ D values, typically 10 or larger; in the limit as κD tends to infinity (the soil unsaturated water retention capacity becomes insignificant and/or aquifer thickness become large), unsaturated flow becomes unimportant and our solution reduces to that of Neuman. In typical cases corresponding to κD larger than or equal to 10, unsaturated flow is found to have little impact on early and late dimensionless time behaviors of drawdown measured wholly or in part at some distance below the water table; unsaturated flow causes drawdown to increase slightly at intermediate dimensionless time values that represent transition from an early artesian dominated to a late water-table dominated flow regime. The increase in drawdown

  12. Quantifying linguistic coordination

    DEFF Research Database (Denmark)

    Fusaroli, Riccardo; Tylén, Kristian

    task (Bahrami et al 2010, Fusaroli et al. 2012) we extend to linguistic coordination dynamical measures of recurrence employed in the analysis of sensorimotor coordination (such as heart-rate (Konvalinka et al 2011), postural sway (Shockley 2005) and eye-movements (Dale, Richardson and Kirkham 2012......). We employ nominal recurrence analysis (Orsucci et al 2005, Dale et al 2011) on the decision-making conversations between the participants. We report strong correlations between various indexes of recurrence and collective performance. We argue this method allows us to quantify the qualities...

  13. Combined Theoretical and Experimental Investigation of CO Adsorption on Coordinatively Unsaturated Sites in CuBTC MOF

    Czech Academy of Sciences Publication Activity Database

    Rubeš, M.; Grajciar, L.; Bludský, Ota; Wiersum, A. D.; Llewellyn, P. L.; Nachtigall, P.

    2012-01-01

    Roč. 13, č. 2 (2012), s. 488-495 ISSN 1439-4235 R&D Projects: GA MŠk LC512 Grant - others:GA MŠk(CZ) 7E09111; 7th framework programme(XE) 228862 Institutional research plan: CEZ:AV0Z40550506 Keywords : ab initio calculations * adsorption * density functional calculations * metal-organic frameworks * microcalorimetry Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.349, year: 2012

  14. Accurate Ab Initio Description of Adsorption on Coordinatively Unsaturated Cu2+ and Fe3+ Sites in MOFs

    Czech Academy of Sciences Publication Activity Database

    Grajciar, L.; Nachtigall, P.; Bludský, Ota; Rubeš, M.

    2015-01-01

    Roč. 11, č. 1 (2015), s. 230-238 ISSN 1549-9618 R&D Projects: GA ČR GA14-07101S Institutional support: RVO:61388963 Keywords : metal organic frameworks * generalized gradient approximation * basis sets Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 5.301, year: 2015

  15. Dimensions of Organizational Coordination

    DEFF Research Database (Denmark)

    Jensen, Andreas Schmidt; Aldewereld, Huib; Dignum, Virginia

    2013-01-01

    be supported to include organizational objectives and constraints into their reasoning processes by considering two alternatives: agent reasoning and middleware regulation. We show how agents can use an organizational specification to achieve organizational objectives by delegating and coordinating...... their activities with other agents in the society, using the GOAL agent programming language and the OperA organizational model....

  16. Reusability of coordination programs

    NARCIS (Netherlands)

    F. Arbab (Farhad); C.L. Blom (Kees); F.J. Burger (Freek); C.T.H. Everaars (Kees)

    1996-01-01

    textabstractIsolating computation and communication concerns into separate pure computation and pure coordination modules enhances modularity, understandability, and reusability of parallel and/or distributed software. This can be achieved by moving communication primitives (such as SendMessage and

  17. [Civilian-military coordination].

    Science.gov (United States)

    de Montravel, G

    2002-01-01

    Current humanitarian emergencies create complex, mutidimensional situations that stimulate simultaneous responses from a wide variety of sources including governments, non-governmental organizations (NGO), United Nations agencies, and private individuals. As a result, it has become essential to establish a coherent framework in which each actor can contribute promptly and effectively to the overall effort. This is the role of the United Nations Office for the Coordination of Humanitarian Affairs. Regardless of the circumstances and level of coordination, cooperation and collaboration between humanitarian and military personnel, it is necessary to bear in mind their objectives. The purpose of humanitarian action is to reduce human suffering. The purpose of military intervention is to stop warfare. The author of this article will discuss the three major obstacles to civilian-military coordination (strategic, tactical, and operational). Operations cannot be conducted smoothly and differences cannot be ironed out without mutual respect between the two parties, an explicit definition of their respective duties and responsibilities, a clear understanding of their cultural differences, and the presence of an organization and facilities for coordination and arbitrage by a neutral referee.

  18. Coordination of hand shape.

    Science.gov (United States)

    Pesyna, Colin; Pundi, Krishna; Flanders, Martha

    2011-03-09

    The neural control of hand movement involves coordination of the sensory, motor, and memory systems. Recent studies have documented the motor coordinates for hand shape, but less is known about the corresponding patterns of somatosensory activity. To initiate this line of investigation, the present study characterized the sense of hand shape by evaluating the influence of differences in the amount of grasping or twisting force, and differences in forearm orientation. Human subjects were asked to use the left hand to report the perceived shape of the right hand. In the first experiment, six commonly grasped items were arranged on the table in front of the subject: bottle, doorknob, egg, notebook, carton, and pan. With eyes closed, subjects used the right hand to lightly touch, forcefully support, or imagine holding each object, while 15 joint angles were measured in each hand with a pair of wired gloves. The forces introduced by supporting or twisting did not influence the perceptual report of hand shape, but for most objects, the report was distorted in a consistent manner by differences in forearm orientation. Subjects appeared to adjust the intrinsic joint angles of the left hand, as well as the left wrist posture, so as to maintain the imagined object in its proper spatial orientation. In a second experiment, this result was largely replicated with unfamiliar objects. Thus, somatosensory and motor information appear to be coordinated in an object-based, spatial-coordinate system, sensitive to orientation relative to gravitational forces, but invariant to grasp forcefulness.

  19. Block coordination copolymers

    Science.gov (United States)

    Koh, Kyoung Moo; Wong-Foy, Antek G; Matzger, Adam J; Benin, Annabelle I; Willis, Richard R

    2012-11-13

    The present invention provides compositions of crystalline coordination copolymers wherein multiple organic molecules are assembled to produce porous framework materials with layered or core-shell structures. These materials are synthesized by sequential growth techniques such as the seed growth technique. In addition, the invention provides a simple procedure for controlling functionality.

  20. Coordination failure caused by sunspots

    DEFF Research Database (Denmark)

    Beugnot, Julie; Gürgüç, Zeynep; Øvlisen, Frederik Roose

    2012-01-01

    on the efficient equilibrium, we consider sunspots as a potential reason for coordination failure. We conduct an experiment with a three player 2x2x2 game in which coordination on the efficient equilibrium is easy and should normally occur. In the control session, we find almost perfect coordination on the payoff......-dominant equilibrium, but in the sunspot treatment, dis-coordination is frequent. Sunspots lead to significant inefficiency, and we conclude that sunspots can indeed cause coordination failure....

  1. Disposal of vitrified waste in an unsaturated environment

    International Nuclear Information System (INIS)

    Bates, J.K.

    1991-01-01

    An experimental program is described wherein the effect of important independent variables on glass reaction under conditions that may exist for unsaturated storage is examined. The effect of radioactive vs. simulated glasses is being examined in a set of simple and integrated tests. Results through 140 days show that no major differences exist between the two glass types although some trends are being established that need further examination. The effect of SA/V was examined in preliminary tests done at 10, 50, and 100 m -1 . Analysis of the reacted glass structure indicated that as the SA/V changed, the assemblage of crystalline phases that formed on the reacted glass varied and the process by which the glass structure reacted changed. Finally, the effect of radiation on glass reactivity is being studied. For each variable studied, tests are in progress that will provide information to support startup of the glass processing facilities and licensing of a repository. 16 refs., 2 figs., 3 tabs

  2. Soil characterization methods for unsaturated low-level waste sites

    International Nuclear Information System (INIS)

    Wierenga, P.J.; Young, M.H.; Hills, R.G.

    1993-01-01

    To support a license application for the disposal of low-level radioactive waste (LLW), applicants must characterize the unsaturated zone and demonstrate that waste will not migrate from the facility boundary. This document provides a strategy for developing this characterization plan. It describes principles of contaminant flow and transport, site characterization and monitoring strategies, and data management. It also discusses methods and practices that are currently used to monitor properties and conditions in the soil profile, how these properties influence water and waste migration, and why they are important to the license application. The methods part of the document is divided into sections on laboratory and field-based properties, then further subdivided into the description of methods for determining 18 physical, flow, and transport properties. Because of the availability of detailed procedures in many texts and journal articles, the reader is often directed for details to the available literature. References are made to experiments performed at the Las Cruces Trench site, New Mexico, that support LLW site characterization activities. A major contribution from the Las Cruces study is the experience gained in handling data sets for site characterization and the subsequent use of these data sets in modeling studies

  3. Upscaling of Constitutive Relations In Unsaturated Heterogeneous Porous Media

    International Nuclear Information System (INIS)

    Liu, H. H.; Bodvarsson, G. S.

    2001-01-01

    When numerical model are used for modeling field scale flow and transport processes in the subsurface, the problem of ''upscaling'' arises. Typical scales, corresponding to spatial resolutions of subsurface heterogeneity in numerical models, are generally much larger than the measurement scale of the parameters and physical processes involved. The upscaling problems is, then, one of assigning parameters to gridblock scale based on parameter values measured on small scales. The focus of this study is to develop an approach to determine large-scale (upscaled) constitutive relations (relationships among relative permeability, capillary pressure and saturation) from small-scale measurements for porous media for a range of air entry values that are typical for the tuff matrix in the unsaturated zone of Yucca Mountain. For porous media with large air entry values, capillary forces play a key role in determining spatial water distribution at large-scales. Therefore, a relatively uniform capillary pressure approximately exists even for a large gridblock scale under steady state flow conditions. Based on these reasoning, we developed formulations that relate upscaled constitutive relations to ones measured at core-scale. Numerical experiments with stochastically generated heterogeneous porous media were used to evaluate the upscaling formulations

  4. Parametric effects on glass reaction in the unsaturated test method

    International Nuclear Information System (INIS)

    Woodland, A.B.; Bates, J.K.; Gerding, T.J.

    1991-12-01

    The Unsaturated Test Method has been applied to study glass reaction under conditions that may be present at the potential Yucca Mountain site, currently under evaluation for storage of reprocessed high-level nuclear waste. The results from five separate sets of parametric experiments are presented wherein test parameters ranging from water contact volume to sensitization of metal in contact with the glass were examined. The most significant effect was observed when the volume of water, as controlled by the water inject volume and interval period, was such to allow exfoliation of reacted glass to occur. The extent of reaction was also influenced to a lesser extent by the degree of sensitization of the 304L stainless steel. For each experiment, the release of cations from the glass and alteration of the glass were examined. The major alteration product is a smectite clay that forms both from precipitation from solution and from in-situ alteration of the glass itself. It is this clay that undergoes exfoliation as water drips from the glass. A comparison is made between the results of the parametric experiments with those of static leach tests. In the static tests the rates of release become progressively reduced through 39 weeks while, in contrast, they remain relatively constant in the parametric experiments for at least 300 weeks. This differing behavior may be attributable to the dripping water environment where fresh water is periodically added and where evaporation can occur

  5. {alpha},{beta}-Unsaturated Fischer carbene complexes as chemical multitalents

    Energy Technology Data Exchange (ETDEWEB)

    Meijere, A. de [Institut fuer Organische Chemie der George-August-Universitaet Goettingen (Germany)

    1995-12-31

    The well established reaction of {alpha},{beta}-unsaturated Fischer carbenechromium complexes 6(R{sup 1} = H) with alkynes normally proceeds with carbonyl insertion to yield 4-alkoxyphenols 9. Led by the incidental formation of a cyclopentadiene 3 from certain {beta}-aminosubstituted complexes 6(X = NR{sub 2}{sup 3}, R{sup 1} = cPr) the authors have studied the influences of the nature of substituents (R{sup 1}, X on 6; R{sub L}, R{sub S} in the alkyne; R{sup 3} in the amino group), solvents, and temperature on the outcome of the reaction. Imino substitution on complexes 6 leads to 2H-pyrroles 1, a free primary amino group (X = NH{sub 2}) to pyridines 5, and bulky substituents R{sup 1} to cyclopenta[b]pyrans 8 with double insertion of an alkyne. Eventually, appropriate conditions have been developed which permit to selectively prepare either 3-alkoxy-5-(dialkylamino)cyclopentadienes 3 (as synthetic equivalents of cyclopentenones 4), 5-(dialkylaminomethylene)cyclopent-2-enones 7, 3-alkoxy-2-(1{prime}-morpholino-1{prime}-alkenyl)cyclopent-2-enones 10, and 2-acyl-3-(dialkylamino)cyclopent-2-enones 11 from easily accessible carbene complexes 6 (X = NR{sub 2}{sup 3}) in high yields. Mechanistic aspects and implications of these novel transformations will be discussed.

  6. Network modelling of fluid retention behaviour in unsaturated soils

    Directory of Open Access Journals (Sweden)

    Athanasiadis Ignatios

    2016-01-01

    Full Text Available The paper describes discrete modelling of the retention behaviour of unsaturated porous materials. A network approach is used within a statistical volume element (SVE, suitable for subsequent use in hydro-mechanical analysis and incorporation within multi-scale numerical modelling. The soil pore structure is modelled by a network of cylindrical pipes connecting spheres, with the spheres representing soil voids and the pipes representing inter-connecting throats. The locations of pipes and spheres are determined by a Voronoi tessellation of the domain. Original aspects of the modelling include a form of periodic boundary condition implementation applied for the first time to this type of network, a new pore volume scaling technique to provide more realistic modelling and a new procedure for initiating drying or wetting paths in a network model employing periodic boundary conditions. Model simulations, employing two linear cumulative probability distributions to represent the distributions of sphere and pipe radii, are presented for the retention behaviour reported from a mercury porosimetry test on a sandstone.

  7. Radiation polymerizable coating composition containing an unsaturated phosphoric ester

    International Nuclear Information System (INIS)

    Dickie, R.A.; Cassatta, J.C.

    1976-01-01

    A radiation polymerizable protective coating composition or paint consists essentially of a binder solution of: (1) between about 90 and about 10 parts of a saturated, thermoplastic vinyl polymer prepared from at least about 85 weight percent of monofunctional vinyl monomers; (2) between about 10 and about 90 parts of vinyl solvent monomers for the vinyl polymer, at least about 10 weight percent, preferably at least about 30 weight percent, of the solvent monomers being selected from the group consisting of divinyl monomers, trivinyl monomers, tetravinyl monomers and mixtures of these; and (3) between about 1.0 and about 15.0 parts per 100 parts of the total of the thermoplastic vinyl polymer and the vinyl solvent monomers of a triester of phosphoric acid bearing one or more sites of vinyl unsaturation. The composition exhibits excellent quality and good adhesion to a variety of substrates, in particular metals, including vapor deposited metals. Preferred articles bearing such a coating are prepared by applying a base coat to a substrate and curing the same; vapor depositing a coating of metal over the surface of the base coat; and applying to and curing on the surface of the deposited metal the radiation polymerizable topcoat, preferably with little or no pigment contained therein. 7 claims, no drawings

  8. Experimental Investigation of Hysteretic Dynamic Capillarity Effect in Unsaturated Flow

    Science.gov (United States)

    Zhuang, Luwen; Hassanizadeh, S. Majid; Qin, Chao-Zhong; de Waal, Arjen

    2017-11-01

    The difference between average pressures of two immiscible fluids is commonly assumed to be the same as macroscopic capillary pressure, which is considered to be a function of saturation only. However, under transient conditions, a dependence of this pressure difference on the time rate of saturation change has been observed by many researchers. This is commonly referred to as dynamic capillarity effect. As a first-order approximation, the dynamic term is assumed to be linearly dependent on the time rate of change of saturation, through a material coefficient denoted by τ. In this study, a series of laboratory experiments were carried out to quantify the dynamic capillarity effect in an unsaturated sandy soil. Primary, main, and scanning drainage experiments, under both static and dynamic conditions, were performed on a sandy soil in a small cell. The value of the dynamic capillarity coefficient τ was calculated from the air-water pressure differences and average saturation values during static and dynamic drainage experiments. We found a dependence of τ on saturation, which showed a similar trend for all drainage conditions. However, at any given saturation, the value of τ for primary drainage was larger than the value for main drainage and that was in turn larger than the value for scanning drainage. Each data set was fit a simple log-linear equation, with different values of fitting parameters. This nonuniqueness of the relationship between τ and saturation and possible causes is discussed.

  9. Infinite slope stability under steady unsaturated seepage conditions

    Science.gov (United States)

    Lu, Ning; Godt, Jonathan W.

    2008-01-01

    We present a generalized framework for the stability of infinite slopes under steady unsaturated seepage conditions. The analytical framework allows the water table to be located at any depth below the ground surface and variation of soil suction and moisture content above the water table under steady infiltration conditions. The framework also explicitly considers the effect of weathering and porosity increase near the ground surface on changes in the friction angle of the soil. The factor of safety is conceptualized as a function of the depth within the vadose zone and can be reduced to the classical analytical solution for subaerial infinite slopes in the saturated zone. Slope stability analyses with hypothetical sandy and silty soils are conducted to illustrate the effectiveness of the framework. These analyses indicate that for hillslopes of both sandy and silty soils, failure can occur above the water table under steady infiltration conditions, which is consistent with some field observations that cannot be predicted by the classical infinite slope theory. A case study of shallow slope failures of sandy colluvium on steep coastal hillslopes near Seattle, Washington, is presented to examine the predictive utility of the proposed framework.

  10. Soil-atmosphere interaction in unsaturated cut slopes

    Directory of Open Access Journals (Sweden)

    Tsiampousi Aikaterini

    2016-01-01

    Full Text Available Interaction between atmosphere and soil has only recently attracted significant interest. Soil-atmosphere interaction takes place under dynamic climatic conditions, which vary throughout the year and are expected to suffer considerable alterations due to climate change. However, Geotechnical Analysis has traditionally been limited to simplistic approaches, where winter and summer pore water pressure profiles are prescribed. Geotechnical Structures, such as cut slopes, are known to be prone to large irreversible displacements under the combined effect of water uptake by a complex vegetation root system and precipitation. If such processes take place in an unsaturated material the complexity of the problem renders the use of numerical analysis essential. In this paper soil-atmosphere interaction in cut slopes is studied using advanced, fully coupled partially saturated finite element analyses. The effect of rainfall and evapotranspiration is modelled through sophisticated boundary conditions, applying actual meteorological data on a monthly basis. Stages of low and high water demand vegetation are considered for a period of several years, before simulating the effect of vegetation removal. The analysis results are presented with regard to the serviceability and stability of the cut slope.

  11. Electrocatalytic hydrogenation and hydrodeoxygenation of oxygenated and unsaturated organic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Jackson, James E.; Lam, Chun Ho; Saffron, Christopher M.; Miller, Dennis J.

    2018-04-24

    A process and related electrode composition are disclosed for the electrocatalytic hydrogenation and/or hydrodeoxygenation of organic substrates such as biomass-derived bio-oil components by the production of hydrogen atoms on a catalyst surface followed by the reaction of the hydrogen atoms with the organic reactants. Biomass fast pyrolysis-derived bio-oil is a liquid mixture containing hundreds of organic compounds with chemical functionalities that are corrosive to container materials and are prone to polymerization. A high surface area skeletal metal catalyst material such as Raney Nickel can be used as the cathode. Electrocatalytic hydrogenation and/or hydrodeoxygenation convert the organic substrates under mild conditions to reduce coke formation and catalyst deactivation. The process converts oxygen-containing functionalities and unsaturated bonds into chemically reduced forms with an increased hydrogen content. The process is operated at mild conditions, which enables it to be a good means for stabilizing bio-oil to a form that can be stored and transported using metal containers and pipes.

  12. Leaching experiment of cement solidified waste form under unsaturated condition

    International Nuclear Information System (INIS)

    Wang Zhiming; Yao Laigen; Li Shushen; Zhao Yingjie; Cai Yun; Li Dan; Han Xinsheng; An Yongfeng

    2003-01-01

    A device for unsaturated leaching experiments was designed and built up. 8 different sizes, ranging from 40.2 cm 3 to 16945.5 cm 3 , of solidified waste form were tested in the experiment. 5 different water contents, from 0.15 to 0.40, were used for the experiment. The results show that the cumulative leaching fraction increases with water content when the sizes of the forms are equal to and less than 4586.7 cm 3 , for example, the ratios of the cumulative leaching fractions are between 1.24-1.41 under water content of 0.35 and 0.15 on 360 day of Teaching. It can also be seen that the cumulative leaching fraction under higher water content is close to that under saturated condition. The cumulative leaching fraction decreases with size of the form. Maximum leached depth of the solidified waste forms is about 2.25 cm after one year Teaching. Moreover, it has no clear effect on cumulative leaching fraction that sampling or non-sampling during the experiment

  13. Simulation of heat transfer in the unsaturated zone

    International Nuclear Information System (INIS)

    Zyvoloski, G.

    1990-01-01

    Heat transfer can play an important role in fluid flow near the emplacement site of high-level nuclear waste. The effects on far- field flow can be important in understanding net moisture fluxes above the repository zone. The convection in the unsaturated zone at the Yucca Mountain site was responsible for this movement. If this is so, then the convection could provide a mechanism for drying the rock above the repository zone and thus provide a buffer for heavy rainfall events. In addition, the convection would increase the movement of gaseous radionuclides such as 14 CO 2 , tritiated water vapor, and 129 I (Weeks, 1987). Because of the complexity of the problem, numerical models were required to calculate gas flow and vapor transport at the site. Kipp previously modeled this problem using the code HST3D. This code represents the flow of a single-phase fluid with both heat- and mass-transfer effects included. Water density and partial pressure effects are accounted for by the virtual temperature method. In this paper, the problem was simulated using the code FEHMN, a finite-element heat- and mass-transfer code being developed for the Yucca Mountain Project. The work described in this paper was done in preparation of the upcoming problem to be formulated for the Performance Assessment Calculation Exercise. 5 refs., 9 figs., 1 tab

  14. Radionuclide transport as vapor through unsaturated fractured rock

    International Nuclear Information System (INIS)

    Green, R.T.

    1986-01-01

    The objective of this study is to identify and examine potential mechanisms of radionuclide transport as vapor at a high-level radioactive waste repository located in unsaturated fractured rock. Transport mechanisms and processes have been investigated near the repository and at larger distances. Transport mechanisms potentially important at larger distances include ordinary diffusion, viscous flow and free convection. Ordinary diffusion includes self and binary diffusion, Knudsen flow and surface diffusion. Pressure flow and slip flow comprise viscous flow. Free convective flow results from a gas density contrast. Transport mechanisms or processes dominant near the repository include ordinary diffusion, viscous flow plus several mechanisms whose driving forces arise from the non-isothermal, radioactive nature of high-level waste. The additional mechanisms include forced diffusion, aerosol transport, thermal diffusion and thermophoresis. Near a repository vapor transport mechanisms and processes can provide a significant means of transport from a failed canister to the geologic medium from which other processes can transport radionuclides to the accessible environment. These issues are believed to be important factors that must be addressed in the assessment of specific engineering designs and site selection of any proposed HLW repository

  15. TSPA Model for the Yucca Mountain Unsaturated Zone

    International Nuclear Information System (INIS)

    M.L. Wilson; C.K. Ho

    2001-01-01

    Yucca Mountain, Nevada, is being considered as a potential site for a repository for spent nuclear fuel and high-level radioactive waste. Total-system performance-assessment (TSPA) calculations are performed to evaluate the safety of the site. Such calculations require submodels for all important engineered and natural components of the disposal system. There are five submodels related to the unsaturated zone: climate, infiltration, mountain-scale flow of water, seepage into emplacement drifts, and radionuclide transport. For each of these areas, models have been developed and implemented for use in TSPA. The climate model is very simple (a set of climate states have been deduced from paleoclimate data, and the times when climate changes occur in the future have been estimated), but the other four models make use of complex process models involving time-consuming computer runs. An important goal is to evaluate the impact of uncertainties (e.g., incomplete knowledge of the site) on the estimates of potential repository performance, so particular attention is given to the key uncertainties for each area. Uncertainties in climate, infiltration, and mountain-scale flow are represented in TSPA simulations by means of discrete high, medium, and low cases, Uncertainties in seepage and radionuclide transport are represented by means of continuous probability distributions for several key parameters

  16. Modeling heterogeneous unsaturated porous media flow at Yucca Mountain

    International Nuclear Information System (INIS)

    Robey, T.H.

    1994-01-01

    Geologic systems are inherently heterogeneous and this heterogeneity can have a significant impact on unsaturated flow through porous media. Most previous efforts to model groundwater flow through Yucca Mountain have used stratigraphic units with homogeneous properties. However, modeling heterogeneous porous and fractured tuff in a more realistic manner requires numerical methods for generating heterogeneous simulations of the media, scaling of material properties from core scale to computational scale, and flow modeling that allows channeling. The Yucca Mountain test case of the INTRAVAL project is used to test the numerical approaches. Geostatistics is used to generate more realistic representations of the stratigraphic units and heterogeneity within units is generated using sampling from property distributions. Scaling problems are reduced using an adaptive grid that minimizes heterogeneity within each flow element. A flow code based on the dual mixed-finite-element method that allows for heterogeneity and channeling is employed. In the Yucca Mountain test case, the simulated volumetric water contents matched the measured values at drill hole USW UZ-16 except in the nonwelded portion of Prow Pass

  17. Effective media models for unsaturated fractured rock: A field experiment

    International Nuclear Information System (INIS)

    Nicholl, M.J.; Glass, R.J.

    1995-01-01

    A thick unsaturated rock mass at Yucca Mountain is currently under consideration as a potential repository site for disposal of high level radioactive waste. In accordance with standard industry and scientific practices, abstract numerical models will be used to evaluate the potential for radionuclide release through the groundwater system. At this time, currently available conceptual models used to develop effective media properties are based primarily on simplistic considerations. The work presented here is part of an integrated effort to develop effective media models at the intermediate block scale (approximately 8-125m) through a combination of physical observations, numerical simulations and theoretical considerations. A multi-purpose field experiment designed and conducted as part of this integrated effort is described. Specific goals of this experimental investigation were to: (1) obtain fracture network data from Topopah Spring Tuff for use in block scale simulations; (2) identity positions of the network conducting flow under three different boundary conditions; (3) visualize preferential flow paths and small-scale flow structures; (4) collect samples for subsequent hydraulic testing and use in block-scale simulations; and (5) demonstrate the ability of Electrical Resistance Tomography (ERT) to delineate fluid distribution within fractured rock

  18. Evaluation of probabilistic flow in two unsaturated soils

    Science.gov (United States)

    Boateng, Samuel

    2001-11-01

    A variably saturated flow model is coupled to a first-order reliability algorithm to simulate unsaturated flow in two soils. The unsaturated soil properties are considered as uncertain variables with means, standard deviations, and marginal probability distributions. Thus, each simulation constitutes an unsaturated probability flow event. Sensitivities of the uncertain variables are estimated for each event. The unsaturated hydraulic properties of a fine-textured soil and a coarse-textured soil are used. The properties are based on the van Genuchten model. The flow domain has a recharge surface, a seepage boundary along the bottom, and a no-flow boundary along the sides. The uncertain variables are saturated water content, residual water content, van Genuchten model parameters alpha (α) and n, and saturated hydraulic conductivity. The objective is to evaluate the significance of each uncertain variable to the probabilistic flow. Under wet conditions, saturated water content and residual water content are the most significant uncertain variables in the sand. For dry conditions in the sand, however, the van Genuchten model parameters α and n are the most significant. Model parameter n and saturated hydraulic conductivity are the most significant for the wet clay loam. Saturated water content is most significant for the dry clay loam. Résumé. Un modèle d'écoulement variable en milieu saturé est couplé à un algorithme d'exactitude de premier ordre pour simuler les écoulements en milieu non saturé dans deux sols. Les propriétés des sols non saturés sont considérés comme des variables incertaines avec des moyennes, des écarts-types et des distributions de probabilité marginale. Ainsi chaque simulation constitue un événement d'écoulement non saturé probable. La sensibilité des variables incertaines est estimée pour chaque événement. Les propriétés hydrauliques non saturées d'un sol à texture fine et d'un sol à texture grossière sont utilis

  19. Production of highly unsaturated fatty acids using agro-processing by-products

    CSIR Research Space (South Africa)

    Jacobs, A

    2008-11-01

    Full Text Available The South African agro-processing industry generates millions of tons of cereal derived by-products annually. The by-products from biofuel production are expected to increase these volumes dramatically. Highly unsaturated fatty acids (HUFA...

  20. Role of Lipid Peroxidation-Derived α, β-Unsaturated Aldehydes in Vascular Dysfunction

    Directory of Open Access Journals (Sweden)

    Seung Eun Lee

    2013-01-01

    Full Text Available Vascular diseases are the most prominent cause of death, and inflammation and vascular dysfunction are key initiators of the pathophysiology of vascular disease. Lipid peroxidation products, such as acrolein and other α, β-unsaturated aldehydes, have been implicated as mediators of inflammation and vascular dysfunction. α, β-Unsaturated aldehydes are toxic because of their high reactivity with nucleophiles and their ability to form protein and DNA adducts without prior metabolic activation. This strong reactivity leads to electrophilic stress that disrupts normal cellular function. Furthermore, α, β-unsaturated aldehydes are reported to cause endothelial dysfunction by induction of oxidative stress, redox-sensitive mechanisms, and inflammatory changes such as induction of cyclooxygenase-2 and cytokines. This review provides an overview of the effects of lipid peroxidation products, α, β-unsaturated aldehydes, on inflammation and vascular dysfunction.

  1. Saturated-unsaturated flow to a partially penetrating well with storage in a compressible aquifer

    Science.gov (United States)

    Mishra, P. K.; Neuman, S. P.

    2010-12-01

    Mishra and Neuman [2010] developed an analytical solution for flow to a partially penetrating well of zero radius in a compressible unconfined aquifer that allows inferring its saturated and unsaturated hydraulic properties from responses recorded in the saturated and/or the unsaturated zone. We extend their solution to the case of a finite diameter pumping well with storage. Both solutions account for horizontal as well as vertical flows throughout the system. We investigate the effects of storage in the pumping well and delayed piezometer response on drawdowns in the saturated and unsaturated zones as functions of position and time; validate our solution against numerical simulations of drawdown in a synthetic aquifer having unsaturated properties described by the van Genuchten - Mualem constitutive model; and use our solution to analyze drawdown data from a pumping test conducted at the Borden site in Ontario, Canada.

  2. Study on the concentration of unsaturated fatty acid methyl esters by urea complexation

    International Nuclear Information System (INIS)

    Jiang, B.; Liu, Y.

    2014-01-01

    This study was done to obtain concentrated unsaturated fatty acid methyl esters (FAME) by urea complexation from soybean derived FAME. Effects of urea-to-FAME ratio, 95% ethanol-to-FAME ratio, crystallization temperature and time on the purification of unsaturated FAME were investigated through single factor experiments. Optimum conditions to obtain maximum FAME yield of NUCF with the purity of unsaturated FAME greater than 98% were established using Box-Behnken design (BBD) method and response surface methodology (RSM). Under optimal conditions, the FAME yield was 58.08%, and the purity of unsaturated FAME was 98% at a urea-to-FAME ratio of 1.23, 95% ethanol-to-FAME ratio of 7 and crystallization temperature of 0 degree C. Verification results revealed that the predicted values were reasonably close to experimentally observed values of 56.93% and 98.01%. (author)

  3. α,β-Unsaturated imines via Ru-catalyzed coupling of allylic alcohols and amines.

    Science.gov (United States)

    Rigoli, Jared W; Moyer, Sara A; Pearce, Simon D; Schomaker, Jennifer M

    2012-03-07

    A convenient synthesis of α,β-unsaturated imines requiring only an allylic alcohol, an amine and a Ru catalyst has been developed. The use of large excesses of oxidant and the purification of sensitive intermediates can be avoided.

  4. Isotope Investigations of Groundwater Movement in a Coarse Gravel Unsaturated Zone

    Energy Technology Data Exchange (ETDEWEB)

    Mali, N. [Geological Survey of Slovenia, Department of Hydrogeology, Ljubljana (Slovenia); Kozar-Logar, J. [Jozef Stefan Institute, Ljubljana (Slovenia); Leis, A. [Institute of Water Resources Management, Hydrogeology and Geophysics, Joanneum Research Forschungsgesellschaft mbH, Graz (Austria)

    2013-07-15

    The unsaturated zone above an aquifer serves as a water reservoir which discharges water and possible pollution to the saturated zone. This paper presents the application of oxygen-18 and tritium isotope methods in the study of groundwater transport processes in the unsaturated zone of Selniska Dobrava coarse gravel aquifer. The Selniska Dobrava gravel aquifer is an important water resource for Maribor and its surroundings, therefore the determination of transport processes in the unsaturated zone is important regarding its protection. Groundwater flow characteristics were estimated using isotopes and based on experimental work in a lysimeter. Tritium investigation results were compared with the results of long term oxygen-18 isotope investigation. In this paper the analytical approach, results and interpretation of {delta}{sup 18}O and tritium measurements in the unsaturated zone are presented. (author)

  5. Unsaturated fatty acids protect trophoblast cells from saturated fatty acid-induced autophagy defects.

    Science.gov (United States)

    Hong, Ye-Ji; Ahn, Hyo-Ju; Shin, Jongdae; Lee, Joon H; Kim, Jin-Hoi; Park, Hwan-Woo; Lee, Sung Ki

    2018-02-01

    Dysregulated serum fatty acids are associated with a lipotoxic placental environment, which contributes to increased pregnancy complications via altered trophoblast invasion. However, the role of saturated and unsaturated fatty acids in trophoblastic autophagy has yet to be explored. Here, we demonstrated that prolonged exposure of saturated fatty acids interferes with the invasiveness of human extravillous trophoblasts. Saturated fatty acids (but not unsaturated fatty acids) inhibited the fusion of autophagosomes and lysosomes, resulting in the formation of intracellular protein aggregates. Furthermore, when the trophoblast cells were exposed to saturated fatty acids, unsaturated fatty acids counteracted the effects of saturated fatty acids by increasing degradation of autophagic vacuoles. Saturated fatty acids reduced the levels of the matrix metalloproteinases (MMP)-2 and MMP-9, while unsaturated fatty acids maintained their levels. In conclusion, saturated fatty acids induced decreased trophoblast invasion, of which autophagy dysfunction plays a major role. Copyright © 2017 Elsevier B.V. All rights reserved.

  6. Stable and radioactive isotopes in the study of the unsaturated soil zone

    International Nuclear Information System (INIS)

    1985-11-01

    This publication brings together the main results with conclusions and recommendations on the usefulness of studies of the oxygen 18, deuterium and tritium in water in the unsaturated zone. A separate abstract was prepared for each of the 9 papers

  7. Modelling the effects of pore-water chemistry on the behaviour of unsaturated clays

    Directory of Open Access Journals (Sweden)

    Lei Xiaoqin

    2016-01-01

    Full Text Available Due to their various applications in geo-environmental engineering, such as in landfill and nuclear waste disposals, the coupled chemo-hydro-mechanical analysis of expansive soils has gained more and more attention recently. These expansive soils are usually unsaturated under field conditions; therefore the capillary effects need to be taken into account appropriately. For this purpose, based on a rigorous thermodynamic framework (Lei et al., 2014, the authors have extended the chemo-mechanical model of Loret el al. (2002 for saturated homoionic expansive soils to the unsaturated case (Lei, 2015. In this paper, this chemo-mechanical unsaturated model is adopted to simulate the chemo-elastic-plastic consolidation process of an unsaturated expansive soil layer. Logical tendencies of changes in the chemical, mechanical and hydraulic field quantities are obtained.

  8. Fully Biobased Unsaturated Aliphatic Polyesters from Renewable Resources : Enzymatic Synthesis, Characterization, and Properties

    NARCIS (Netherlands)

    Jiang, Yi; Alberda van Ekenstein, Gerhard; Woortman, Albert J. J.; Loos, Katja

    2014-01-01

    Fully biobased saturated and unsaturated aliphatic polyesters and oligoesters are successfully prepared by Candida antarctica lipase B (CALB)-catalyzed polycondensations of succinate, itaconate, and 1,4-butanediol. The effects of monomer substrates and polymerization methods on enzymatic

  9. Determination of Polybutadiene Unsaturation Content in Thermal and Thermo-Oxidative Degradation Processes by NMR

    Directory of Open Access Journals (Sweden)

    Farshid Ziaee

    2013-01-01

    Full Text Available The unsaturation content of various polybutadiene (PBD types of 1,4-cis, 1,4-trans and 1,2-vinyl isomers with different molecular weights was investigated. An important parameter for unsaturation content of polybutadiene would be the determination of olefnic and aliphatic contents for three types of isomers. For this purpose, proton and carbon nuclear magnetic resonance spectroscopy methods were employed for determination of 1,4-cis, 1,4-trans and 1,2-vinyl contents. A change of adjustable parameter of NMR software was made for accurate integrals giving better results. The accuracy in calculation of low molecular weight PBD, surface area of chain end group decreased in aliphatic region. Furthermore, the changing of unsaturation content versus time was considered for 1,2-PBD and 1,4-PBD in thermal degradation conditions at 250°C. NMR results showed that during heating, the unsaturation content decreased for 1,2-PBD and was not changed for 1,4-PBD. In fact, the basic factor responsible for changing of unsaturation content in thermal degradation of PBD may be due to the presence of 1,2-vinyl isomer. Finally, changing in unsaturation content versus time was observed for 1,2-PBD and 1,4-PBD in thermo-oxidative degradation conditions at 100°C. The NMR results showed that at extended time, the unsaturation content decreased for 1,4-PBD and was not changed for 1,2-PBD. Moreover, the basic factor for changes in unsaturation content in thermo-oxidative degradation of PBD is due to the presence of 1,4-cis and 1,4-trans isomers.

  10. Thermo-mechanical constitutive modeling of unsaturated clays based on the critical state concepts

    OpenAIRE

    Tourchi, Saeed; Hamidi, Amir

    2015-01-01

    A thermo-mechanical constitutive model for unsaturated clays is constructed based on the existing model for saturated clays originally proposed by the authors. The saturated clays model was formulated in the framework of critical state soil mechanics and modified Cam-clay model. The existing model has been generalized to simulate the experimentally observed behavior of unsaturated clays by introducing Bishop's stress and suction as independent stress parameters and modifying the hardening rul...

  11. FITTING OF THE DATA FOR DIFFUSION COEFFICIENTS IN UNSATURATED POROUS MEDIA

    Energy Technology Data Exchange (ETDEWEB)

    B. Bullard

    1999-05-01

    The purpose of this calculation is to evaluate diffusion coefficients in unsaturated porous media for use in the TSPA-VA analyses. Using experimental data, regression techniques were used to curve fit the diffusion coefficient in unsaturated porous media as a function of volumetric water content. This calculation substantiates the model fit used in Total System Performance Assessment-1995 An Evaluation of the Potential Yucca Mountain Repository (TSPA-1995), Section 6.5.4.

  12. FITTING OF THE DATA FOR DIFFUSION COEFFICIENTS IN UNSATURATED POROUS MEDIA

    International Nuclear Information System (INIS)

    B. Bullard

    1999-01-01

    The purpose of this calculation is to evaluate diffusion coefficients in unsaturated porous media for use in the TSPA-VA analyses. Using experimental data, regression techniques were used to curve fit the diffusion coefficient in unsaturated porous media as a function of volumetric water content. This calculation substantiates the model fit used in Total System Performance Assessment-1995 An Evaluation of the Potential Yucca Mountain Repository (TSPA-1995), Section 6.5.4

  13. Enhanced Attenuation of Unsaturated Chlorinated Solvent Source Zones using Direct Hydrogen Delivery

    Science.gov (United States)

    2013-01-01

    solvents. This approach for bioremediation of unsaturated soils containing chlorinated solvents was originally proposed in a patent by Hughes et al...have been conducted on the use of hydrogen as an electron donor for the anaerobic bioremediation of saturated and unsaturated porous media (Evans and...proven to be very effective in remediating releases of petroleum products including gasoline, jet fuels, kerosene, and diesel fuel. Several field

  14. Saturated and unsaturated stability analysis of slope subjected to rainfall infiltration

    OpenAIRE

    Gofar Nurly; Rahardjo Harianto

    2017-01-01

    This paper presents results of saturated and unsaturated stability analysis of typical residual slopes subjected to rainfall infiltration corresponds to 50 years rainfall return period. The slope angles considered were 45° and 70°. The saturated stability analyses were carried out for original and critical ground water level commonly considered by practicing engineer. The analyses were conducted using limit equilibrium method. Unsaturated stability analyses used combination of coupled stress–...

  15. Application of Stochastic Unsaturated Flow Theory, Numerical Simulations, and Comparisons to Field Observations

    DEFF Research Database (Denmark)

    Jensen, Karsten Høgh; Mantoglou, Aristotelis

    1992-01-01

    unsaturated flow equation representing the mean system behavior is solved using a finite difference numerical solution technique. The effective parameters are evaluated from the stochastic theory formulas before entering them into the numerical solution for each iteration. The stochastic model is applied...... seems to offer a rational framework for modeling large-scale unsaturated flow and estimating areal averages of soil-hydrological processes in spatially variable soils....

  16. Rhodium-catalyzed asymmetric hydroboration of γ,δ-unsaturated amide derivatives: δ-borylated amides.

    Science.gov (United States)

    Hoang, G L; Zhang, S; Takacs, J M

    2018-05-08

    γ,δ-Unsaturated amides in which the alkene moiety bears an aryl or heteroaryl substituent undergo regioselective rhodium-catalyzed δ-borylation by pinacolborane to afford chiral secondary benzylic boronic esters. The results contrast the γ-borylation of γ,δ-unsaturated amides in which the disubstituted alkene moiety bears only alkyl substituents; the reversal in regiochemistry is coupled with a reversal in the sense of π-facial selectivity.

  17. Degradation behavior of polymer blend of isotactic polypropylenes with and without unsaturated chain end group

    International Nuclear Information System (INIS)

    Nakatani, Hisayuki; Kurniawan, Dodik; Taniike, Toshiaki; Terano, Minoru

    2008-01-01

    In this work, the relationship between the unsaturated chain end group content and the thermal oxidative degradation rate was systematically studied with binary polymer blends of isotactic polypropylene (iPP) with and without the unsaturated chain end group. The iPPs with and without the unsaturated chain end group were synthesized by a metallocene catalyst in the absence of hydrogen and by a Ziegler catalyst in the presence of one, respectively. The thermal oxidative degradation rate of the binary iPP blends was estimated from the molecular weight and the apparent activation energy (ΔE), which were obtained through size exclusion chromatography (SEC) and thermogravimetric analysis (TGA) measurements, respectively. These values exhibited a negative correlation against the mole content of the unsaturated chain end group. The thermal oxidative degradation rate apparently depends on the content of the unsaturated chain end group. This tendency suggests that the unsaturated chain end acts as a radical initiator of the iPP degradation reaction.

  18. Improving Project Manufacturing Coordination

    Directory of Open Access Journals (Sweden)

    Korpivaara Ville

    2014-09-01

    Full Text Available The objective of this research is to develop firms’ project manufacturing coordination. The development will be made by centralizing the manufacturing information flows in one system. To be able to centralize information, a deep user need assessment is required. After user needs have been identified, the existing system will be developed to match these needs. The theoretical background is achieved through exploring the literature of project manufacturing, development project success factors and different frameworks and tools for development project execution. The focus of this research is rather in customer need assessment than in system’s technical expertise. To ensure the deep understanding of customer needs this study is executed by action research method. As a result of this research the information system for project manufacturing coordination was developed to respond revealed needs of the stakeholders. The new system improves the quality of the manufacturing information, eliminates waste in manufacturing coordination processes and offers a better visibility to the project manufacturing. Hence it provides a solid base for the further development of project manufacturing.

  19. Universal mechatronics coordinator

    Science.gov (United States)

    Muir, Patrick F.

    1999-11-01

    Mechatronic systems incorporate multiple actuators and sensor which must be properly coordinated to achieve the desired system functionality. Many mechatronic systems are designed as one-of-a-kind custom projects without consideration for facilitating future system or alterations and extensions to the current syste. Thus, subsequent changes to the system are slow, different, and costly. It has become apparent that manufacturing processes, and thus the mechatronics which embody them, need to be agile in order to more quickly and easily respond to changing customer demands or market pressures. To achieve agility, both the hardware and software of the system need to be designed such that the creation of new system and the alteration and extension of current system is fast and easy. This paper describes the design of a Universal Mechatronics Coordinator (UMC) which facilitates agile setup and changeover of coordination software for mechatronic systems. The UMC is capable of sequencing continuous and discrete actions that are programmed as stimulus-response pairs, as state machines, or a combination of the two. It facilitates the modular, reusable programing of continuous actions such as servo control algorithms, data collection code, and safety checking routines; and discrete actions such as reporting achieved states, and turning on/off binary devices. The UMC has been applied to the control of a z- theta assembly robot for the Minifactory project and is applicable to a spectrum of widely differing mechatronic systems.

  20. A statistical approach for water movement in the unsaturated zone

    International Nuclear Information System (INIS)

    Tielin Zang.

    1991-01-01

    This thesis presents a statistical approach for estimating and analyzing the downward transport pattern and distribution of soil water by the use of pattern analysis of space-time correlation structures. This approach, called the Space-time-Correlation Field, is mainly based on the analyses of correlation functions simultaneously in the space and time domain. The overall purpose of this work is to derive an alternative statistical procedure in soil moisture analysis without involving detailed information on hydraulic parameters and to visualize the dynamics of soil water variability in the space and time domains. A numerical model using method of characteristics is employed to provide hypothetical time series to use in the statistical method, which is, after the verification and calibration, applied to the field measured time series. The results of the application show that the space-time correlation fields reveal effects of soil layers with different hydraulic properties and boundaries between them. It is concluded that the approach poses special advantages when visualizing time and space dependent properties simultaneously. It can be used to investigate the hydrological response of soil water dynamics and characteristics in different dimensions (space and time) and scales. This approach can be used to identify the dominant component in unsaturated flow systems. It is possible to estimate the pattern and the propagation rate downwards of moisture movement in the soil profile. Small-scale soil heterogeneities can be identified by the correlation field. Since the correlation field technique give a statistical measure of the dependent property that varies within the space-time field, it is possible to interpolate the fields to points where observations are not available, estimating spatial or temporal averages from discrete observations. (au)

  1. Coordinator, Translation Services | IDRC - International ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    The Coordinator, Translation Services coordinates the overall operations of the ... services in IDRC by acting as the main resource person for internal clients ... all operational issues in order to ensure good quality products delivered on time.

  2. Quantifying Preferential Flow and Seasonal Storage in an Unsaturated Fracture-Facial Domain

    Science.gov (United States)

    Nimmo, J. R.; Malek-Mohammadi, S.

    2012-12-01

    Preferential flow through deep unsaturated zones of fractured rock is hydrologically important to a variety of contaminant transport and water-resource issues. The unsaturated zone of the English Chalk Aquifer provides an important opportunity for a case study of unsaturated preferential flow in isolation from other flow modes. The chalk matrix has low hydraulic conductivity and stays saturated, owing to its fine uniform pores and the wet climate of the region. Therefore the substantial fluxes observed in the unsaturated chalk must be within fractures and interact minimally with matrix material. Price et al. [2000] showed that irregularities on fracture surfaces provide a significant storage capacity in the chalk unsaturated zone, likely accounting for volumes of water required to explain unexpected dry-season water-table stability during substantial continuing streamflow observed by Lewis et al. [1993] In this presentation we discuss and quantify the dynamics of replenishment and drainage of this unsaturated zone fracture-face storage domain using a modification of the source-responsive model of Nimmo [2010]. This model explains the processes in terms of two interacting flow regimes: a film or rivulet preferential flow regime on rough fracture faces, active on an individual-storm timescale, and a regime of adsorptive and surface-tension influences, resembling traditional diffuse formulations of unsaturated flow, effective mainly on a seasonal timescale. The modified model identifies hydraulic parameters for an unsaturated fracture-facial domain lining the fractures. Besides helping to quantify the unsaturated zone storage described by Price et al., these results highlight the importance of research on the topic of unsaturated-flow relations within a near-fracture-surface domain. This model can also facilitate understanding of mechanisms for reinitiation of preferential flow after temporary cessation, which is important in multi-year preferential flow through deep

  3. Oxygenated gasoline release in the unsaturated zone - Part 1: Source zone behavior.

    Science.gov (United States)

    Freitas, Juliana G; Barker, James F

    2011-11-01

    Oxygenates present in gasoline, such as ethanol and MTBE, are a concern in subsurface contamination related to accidental spills. While gasoline hydrocarbon compounds have low solubility, MTBE and ethanol are more soluble, ethanol being completely miscible with water. Consequently, their fate in the subsurface is likely to differ from that of gasoline. To evaluate the fate of gasoline containing oxygenates following a release in the unsaturated zone shielded from rainfall/recharge, a controlled field test was performed at Canadian Forces Base Borden, in Ontario. 200L of a mixture composed of gasoline with 10% ethanol and 4.5% MTBE was released in the unsaturated zone, into a trench 20cm deep, about 32cm above the water table. Based on soil cores, most of the ethanol was retained in the source, above the capillary fringe, and remained there for more than 100 days. Ethanol partitioned from the gasoline to the unsaturated pore-water and was retained, despite the thin unsaturated zone at the site (~35cm from the top of the capillary fringe to ground surface). Due to its lower solubility, most of the MTBE remained within the NAPL as it infiltrated deeper into the unsaturated zone and accumulated with the gasoline on top of the depressed capillary fringe. Only minor changes in the distribution of ethanol were noted following oscillations in the water table. Two methods to estimate the capacity of the unsaturated zone to retain ethanol are explored. It is clear that conceptual models for sites impacted by ethanol-fuels must consider the unsaturated zone. Copyright © 2011 Elsevier B.V. All rights reserved.

  4. Recursive Advice for Coordination

    DEFF Research Database (Denmark)

    Terepeta, Michal Tomasz; Nielson, Hanne Riis; Nielson, Flemming

    2012-01-01

    Aspect-oriented programming is a programming paradigm that is often praised for the ability to create modular software and separate cross-cutting concerns. Recently aspects have been also considered in the context of coordination languages, offering similar advantages. However, introducing aspects...... challenging. This is important since ensuring that a system does not contain errors is often equivalent to proving that some states are not reachable. In this paper we show how to solve these challenges by applying a successful technique from the area of software model checking, namely communicating pushdown...

  5. Coordinate Regulation of Yeast Sterol Regulatory Element-binding Protein (SREBP) and Mga2 Transcription Factors.

    Science.gov (United States)

    Burr, Risa; Stewart, Emerson V; Espenshade, Peter J

    2017-03-31

    The Mga2 and Sre1 transcription factors regulate oxygen-responsive lipid homeostasis in the fission yeast Schizosaccharomyces pombe in a manner analogous to the mammalian sterol regulatory element-binding protein (SREBP)-1 and SREBP-2 transcription factors. Mga2 and SREBP-1 regulate triacylglycerol and glycerophospholipid synthesis, whereas Sre1 and SREBP-2 regulate sterol synthesis. In mammals, a shared activation mechanism allows for coordinate regulation of SREBP-1 and SREBP-2. In contrast, distinct pathways activate fission yeast Mga2 and Sre1. Therefore, it is unclear whether and how these two related pathways are coordinated to maintain lipid balance in fission yeast. Previously, we showed that Sre1 cleavage is defective in the absence of mga2 Here, we report that this defect is due to deficient unsaturated fatty acid synthesis, resulting in aberrant membrane transport. This defect is recapitulated by treatment with the fatty acid synthase inhibitor cerulenin and is rescued by addition of exogenous unsaturated fatty acids. Furthermore, sterol synthesis inhibition blocks Mga2 pathway activation. Together, these data demonstrate that Sre1 and Mga2 are each regulated by the lipid product of the other transcription factor pathway, providing a source of coordination for these two branches of lipid synthesis. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

  6. Combined effects of headgroup charge and tail unsaturation of lipids on lateral organization and diffusion of lipids in model biomembranes

    International Nuclear Information System (INIS)

    Chen Xiao-Jie; Liang Qing

    2017-01-01

    Lateral organization and dynamics of lipids in plasma membranes are crucial for several cellular processes such as signal transduction across the membrane and still remain elusive. In this paper, using coarse-grained molecular dynamics simulation, we theoretically study the combined effects of headgroup charge and tail unsaturation of lipids on the lateral organization and diffusion of lipids in ternary lipid bilayers. In neutral ternary lipid bilayers composed of saturated lipids, unsaturated lipids, and cholesterols, under the conditions of given temperature and components, the main factor for the phase separation is the unsaturation of unsaturated lipids and the bilayers can be separated into liquid-ordered domains enriched in saturated lipids and cholesterols and liquid-disordered domains enriched in unsaturated lipids. Once the headgroup charge is introduced, the electrostatic repulsion between the negatively charged lipid headgroups will increase the distance between the charged lipids. We find that the lateral organization and diffusion of the lipids in the (partially) charged ternary lipid bilayers are determined by the competition between the headgroup charge and the unsaturation of the unsaturated lipids. In the bilayers containing unsaturated lipids with lower unsaturation, the headgroup charge plays a crucial role in the lateral organization and diffusion of lipids. The headgroup charge may make the lipid domains unstable and even can suppress phase separation of the lipids in some systems. However, in the bilayers containing highly unsaturated lipids, the lateral organization and diffusion of lipids are mainly dominated by the unsaturation of the unsaturated lipids. This work may provide some theoretical insights into understanding the formation of nanosized domains and lateral diffusion of lipids in plasma membranes. (paper)

  7. Isotope based assessment of groundwater renewal in water scarce regions. Proceedings of a final research co-ordination meeting

    International Nuclear Information System (INIS)

    2001-10-01

    The isotopic composition and chemical constituents of water infiltrating through the soil zone (unsaturated zone, or zone of aeration) into groundwater can be employed to determine the moisture transport in the unsaturated zone, thus enabling estimation of the water infiltration rate to the underlying aquifer. This was the basis on which this CRP was initiated in 1996. The overall results obtained from three years of applied field research related to study of moisture transport dynamics and estimation of natural recharge through use of isotope/hydrochemical depth profiles of the soil moisture in the unsaturated zone were presented and discussed at the final Research Co-ordination Meeting held in Vienna from 18 to 21 October 1999. A total of 44 sites were involved in the project on which detailed information on physiography, lithology, rainfall, unsaturated moisture content and a variety of chemical and isotopic determinants is now available. This publication contains 11 individual reports presented by CRP participants at the Meeting. Each of the reports have been indexed separately

  8. Unsaturated water flow and tracer transport modeling with Alliances

    Energy Technology Data Exchange (ETDEWEB)

    Constantin, Alina, E-mail: alina.constantin@nuclear.ro [Institute for Nuclear Research, Campului Str, No. 1, PO Box 78, Postal Code 115400 Mioveni, Arges County (Romania); Genty, Alain, E-mail: alain.genty@cea.fr [CEA Saclay, DM2S/SFME/LSE, Gif-sur-Yvette 91191 cedex (France); Diaconu, Daniela; Bucur, Crina [Institute for Nuclear Research, Campului Str, No. 1, PO Box 78, Postal Code 115400 Mioveni, Arges County (Romania)

    2013-12-15

    Highlights: • Simulation of water flow and solute transport at Saligny site, Romania was done. • Computation was based on the available experimental data with Alliances platform. • Very good results were obtained for the saturation profile in steady state. • Close fit to experimental data for saturation profile at 3 m in transient state. • Large dispersivity coefficients were fitted to match tracer experiment. - Abstract: Understanding water flow and solute transport in porous media is of central importance in predicting the radionuclide fate in the geological environment, a topic of interest for the performance and safety assessment studies for nuclear waste disposal. However, it is not easy to predict transport properties in real systems because they are geologically heterogeneous from the pore scale upwards. This paper addresses the simulation of water flow and solute transport in the unsaturated zone of the Saligny site, the potential location for the Romanian low and intermediate level waste (LILW) disposal. Computation was based on the current available experimental data for this zone and was performed within Alliances, a software platform initially jointly developed by French organizations CEA, ANDRA and EDF. The output of the model developed was compared with the measured values in terms of saturation profile of the soil for water movement, in both steady and transient state. Very good results were obtained for the saturation profile in steady state and a close fit of the simulation over experimental data for the water saturation profile at a depth of 3 m in transient state. In order to obtain information regarding the solute migration in depth and the solute lateral dispersion, a tracer test was launched on site and dispersivity coefficients of the solute were fitted in order to match the experimental concentration determined on samples from different locations of the site. Results much close to the experiment were obtained for a longitudinal

  9. Complex Binding of the FabR Repressor of Bacterial Unsaturated Fatty Acid Biosynthesis to its Cognate Promoters

    OpenAIRE

    Feng, Youjun; Cronan, John E.

    2011-01-01

    Two transcriptional regulators, the FadR activator and the FabR repressor control biosynthesis of unsaturated fatty acids in Escherichia coli. FabR represses expression of the two genes, fabA and fabB, required for unsaturated fatty acid synthesis and has been reported to require the presence of an unsaturated thioester (of either acyl carrier protein or CoA) in order to bind the fabA and fabB promoters in vitro. We report in vivo experiments in which unsaturated fatty acid synthesis was bloc...

  10. Water transport monitoring in an unsaturated zone – Case study: lysimeter Selniška dobrava (Slovenia

    Directory of Open Access Journals (Sweden)

    Nina Mali

    2002-12-01

    Full Text Available Pollution transport in an aquifer depends on its structure, upper unsaturated zone and lower saturated zone. In order to understand processes in the unsaturated zone, several hydrogeological field measurements must be done. A field laboratory- lysimeter in Selni{kadobrava was installed for the improvement of field measurements, and explanation of the parameters and processes in the unsaturated zone. The problems, which can be solved by means of investigations in a lysimeter, are defined in this paper. Described are also:concept of investigation planning, construction and equipment of the lysimeter, measurements of unsaturated zone parameters and processes, water sampling for physical, chemical and isotope analysis.

  11. Residual mitochondrial transmembrane potential decreases unsaturated fatty acid level in sake yeast during alcoholic fermentation

    Directory of Open Access Journals (Sweden)

    Kazutaka Sawada

    2016-01-01

    Full Text Available Oxygen, a key nutrient in alcoholic fermentation, is rapidly depleted during this process. Several pathways of oxygen utilization have been reported in the yeast Saccharomyces cerevisiae during alcoholic fermentation, namely synthesis of unsaturated fatty acid, sterols and heme, and the mitochondrial electron transport chain. However, the interaction between these pathways has not been investigated. In this study, we showed that the major proportion of unsaturated fatty acids of ester-linked lipids in sake fermentation mash is derived from the sake yeast rather than from rice or koji (rice fermented with Aspergillus. Additionally, during alcoholic fermentation, inhibition of the residual mitochondrial activity of sake yeast increases the levels of unsaturated fatty acids of ester-linked lipids. These findings indicate that the residual activity of the mitochondrial electron transport chain reduces molecular oxygen levels and decreases the synthesis of unsaturated fatty acids, thereby increasing the synthesis of estery flavors by sake yeast. This is the first report of a novel link between residual mitochondrial transmembrane potential and the synthesis of unsaturated fatty acids by the brewery yeast during alcoholic fermentation.

  12. Organocatalytic Asymmetric Michael Addition of 4-Hydroxycoumarin to β,γ-Unsaturated α-Keto Esters

    Energy Technology Data Exchange (ETDEWEB)

    Suh, Chang Won; Han, Tae Hyun; Kim, Dae Young [Soonchunhyang Univ., Asan (Korea, Republic of)

    2013-06-15

    In conclusion, we have developed organocatalytic enantioselective conjugate addition reaction of 4-hydroxycoumarin (1) to β,γ-unsaturated α-keto esters 2 to afford biologically valuable warfarin derivatives 3. The process is efficiently catalyzed by a binaphthyl-modified thiourea organocatalyst. The coumarin core is present as a characteristic structural motif in a large number of natural products and biologically active molecules.1 Particularly, many of these naturally occurring 4-hydroxycoumarin and their synthetic analogues are important precursors for the synthesis of natural products and pharmaceuticals. Enantioselective organocatalytic conjugate addition of 4-hydroxycoumarin to α,β-unsaturated ketones is a straightforward method to access warfarin which is an effective anticoagulants. Although a number of reactions of α,β-unsaturated ketones as Michael acceptors have been reported, the corresponding β,γ-unsaturated α-keto esters have received relatively little attention as Michael acceptors. Recently, several groups have reported the asymmetric Michael addition of 4-hydroxycoumarin to β,γ-unsaturated α-keto esters catalyzed by Cu(II)-bisoxazoline, N,N'-dioxide-Ni(II) complexes, thiourea catalysts. Although several efficient methods have been achieved by these systems, an effective method for the synthesis of warfarin analogues is still a challenge.

  13. Organocatalytic Asymmetric Michael Addition of 4-Hydroxycoumarin to β,γ-Unsaturated α-Keto Esters

    International Nuclear Information System (INIS)

    Suh, Chang Won; Han, Tae Hyun; Kim, Dae Young

    2013-01-01

    In conclusion, we have developed organocatalytic enantioselective conjugate addition reaction of 4-hydroxycoumarin (1) to β,γ-unsaturated α-keto esters 2 to afford biologically valuable warfarin derivatives 3. The process is efficiently catalyzed by a binaphthyl-modified thiourea organocatalyst. The coumarin core is present as a characteristic structural motif in a large number of natural products and biologically active molecules.1 Particularly, many of these naturally occurring 4-hydroxycoumarin and their synthetic analogues are important precursors for the synthesis of natural products and pharmaceuticals. Enantioselective organocatalytic conjugate addition of 4-hydroxycoumarin to α,β-unsaturated ketones is a straightforward method to access warfarin which is an effective anticoagulants. Although a number of reactions of α,β-unsaturated ketones as Michael acceptors have been reported, the corresponding β,γ-unsaturated α-keto esters have received relatively little attention as Michael acceptors. Recently, several groups have reported the asymmetric Michael addition of 4-hydroxycoumarin to β,γ-unsaturated α-keto esters catalyzed by Cu(II)-bisoxazoline, N,N'-dioxide-Ni(II) complexes, thiourea catalysts. Although several efficient methods have been achieved by these systems, an effective method for the synthesis of warfarin analogues is still a challenge

  14. Spherical diffusion of tritium from a point of release in a uniform unsaturated soil

    International Nuclear Information System (INIS)

    Smiles, D.E.; Gardner, W.R.; Schulz, R.K.

    1993-10-01

    Tritium (Tr), when released as tritiated water at a point in a uniform and relatively dry soil, redistributes in both the liquid and vapor phases. The flux density of Tr in the liquid will exceed that in the vapor phase provided the water content is greater than approximately 15% of the total soil porosity. Thus Tr redistribution must be modeled recognizing transfer ''in parallel'' in both phases. The authors use the diffusion equation cast in spherical coordinates to analyze this problem in order to provide a basis for design of field experiments, and to offer observations on the long term behavior of such systems. The solution of the diffusion equation permits calculation of the evolution of profiles of Tr concentration, within and external to the sphere of released solution, assuming the initial concentration within this sphere to be uniform. The authors also predict the rate of advance of the maximum of Tr as it advances, and attenuates, in the soil. Calculations for the case of 1 million Curies of Tr diluted in 1 liter of water and released at a depth of 20 meters, and 200 meters above the water table, are demonstrated. If the soil has an initial water volume fraction of 0.06 and total porosity of 0.3 they show, for example, that at 5 meters from the point of discharge, the Tr concentration increases to a maximum in 24 years and then slowly declines. That maximum is 1 Curie/liter. The concentration in the gas phase will be 5 orders-of-magnitude less than this. At 60 meters the maximum ever reached in the liquid phase is ca 10 -21 Ci/liter; that maximum will be achieved after 408 years. The authors discuss the effects of variation in the volume fractions of water and air originally present in the soil on the effective diffusion coefficient of Tr in soil, consider the effects of a net flux of water in the system, and identify questions to be answered to achieve safe systematic disposal of tritium in the deep unsaturated zone of desert soil

  15. Modeling erosion of unsaturated compacted bentonite by groundwater flow; pinhole erosion test case

    International Nuclear Information System (INIS)

    Laurila, T.; Sane, P.; Olin, M.; Koskinen, K.

    2012-01-01

    swelling rate to erosion rate. Expressing eroded mass as a function of time as M(t) ∝ tβ. we note that for non-swelling material the wall shear -based erosion model gives β = 0,5. We find this limit in our model by suppressing swelling, and we observe that β increases when ratio of swelling to erosion increases, approaching values β ≅ 1 for strong swelling. It follows that the long term erosion of backfill and buffer materials are expected to differ, with erosion rates in the more compact buffer dropping slower. The result also suggests that the lower the initial erosion, the longer one can expect that rate to be maintained. We solve the model in cylindrically symmetric coordinates using COMSOL Multiphysics software, and fit parameters to match pinhole experiments on MX-80 bentonite with different salinities of the water inflow. Significant scatter within the experimental data makes it difficult to definitively validate models. Figure 1 shows erosion behavior in the model at the limit of vanishing swelling, and contrasts it to the highly-swelling case. Observations from the pinhole experiments, as well as from down-scaled piping erosion tests, show that erosion rates in buffer material don't drop significantly in time, suggesting a consistent with high swelling. In the larger piping erosion tests a seemingly steady state in the erosion rate is reached for an extended amount of time. The effects of scatter are reduced using statistical analysis of this state. An important experimental finding of unsaturated erosion is that larger salinities lead to larger erosion rates, in contrast to saturated erosion where the opposite has been observed. We expect this effect to be due to the processes of saturation, suction and permeability. Future work aims to model the dominant processes in this effect, as pertains to Posiva reference conditions for the Olkiluoto site, without going to the full complexity of (T)HM modeling, such as the Barcelona expansible model

  16. Comparative in vitro effects of 2,3,7,8-tetrachlorodibenzo-p-dioxin and selected polynuclear aromatic hydrocarbons on cyp1a1 gene transcription in cells which contain or are deficient in the 4S binding protein

    International Nuclear Information System (INIS)

    Kamps, C.; Safe, S.

    1990-01-01

    Using [ 3 H]-benzo[a]pyrene as the radioligand, several cell culture lines have been screened for the presence (or absence) of the 4S binding protein. Murine Hepa 1c1c7 cells contained both the 4S binding protein and the 9S (Ah) receptor whereas only the 9S receptor was detected in rat hepatoma H-4-II E cells in culture. The effects of a series of polynuclear aromatic hydrocarbons (PAHs) which included benzo[e]pyrene, benzo[ghi]perylene and 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) and their interactive effects on CYP1A1 gene transcription was determined by Northern analysis in both cell lines. The results showed that the PAHs which exhibited high affinity for the 4S binding protein were inactive as inducers in both cell lines; TCDD was active in both cell lines and the interactive effects between the PAHs and TCDD did not significantly modulate TCDD-mediated CYP1A1 gene transcription. The results suggest that the 4S binding protein does not regulate CYP1A1 gene transcription

  17. Network Coordinator Report

    Science.gov (United States)

    Himwich, Ed; Strand, Richard

    2013-01-01

    This report includes an assessment of the network performance in terms of lost observing time for the 2012 calendar year. Overall, the observing time loss was about 12.3%, which is in-line with previous years. A table of relative incidence of problems with various subsystems is presented. The most significant identified causes of loss were electronics rack problems (accounting for about 21.8% of losses), antenna reliability (18.1%), RFI (11.8%), and receiver problems (11.7%). About 14.2% of the losses occurred for unknown reasons. New antennas are under development in the USA, Germany, and Spain. There are plans for new telescopes in Norway and Sweden. Other activities of the Network Coordinator are summarized.

  18. Discrete Element Method for Modeling the Mechanical Behavior of Unsaturated Granular Material

    Directory of Open Access Journals (Sweden)

    K. Tourani

    2016-09-01

    Full Text Available Although a significant portion of conditions encountered in geotechnical engineering, for investigating engineering behavior of soil, involves unsaturated soils; the traditional analysis and design approach has been to assume the limiting conditions of soils being either completely dry or completely saturated. In unsaturated soils the capillary force produce attractive forces between particles. Discrete Element Method (DEM is an appropriate tool to consider the capillary effects. The calculations performed in DEM is based on iterative application of Newton’s second law to the particles and force-displacement law at the contacts. In the present study, the behavior of unsaturated soils in pendular regime is simulated utilizing DEM. Triaxial  compression tests were modeled as two-dimensional, considering capillary force effects. Finally, capillary effects on Macro parameters of a simulated granular soil (stress, axial strain, volumetric strain and void ratio and Mohr Coulomb failure criteria parameters were studied.

  19. Numerical modeling of isothermal and nonisothermal flow in unsaturated fractured rock: A review

    International Nuclear Information System (INIS)

    Pruess, K.; Wang, J.S.Y.

    1986-01-01

    The tuff formations at and near the Nevada Test Site are comprised of fractured-porous material, with hydrologic properties quite different from those encountered in most previous unsaturated flow studies dealing with soils. In the vicinity of the waste packages, flow is driven by high temperatures (exceeding 100 0 C) and large temperature gradients. The approximations developed in soil science for weakly nonisothermal flow are not applicable to this situation, and a multiphase description of flow is required, similar to approaches used in modeling of geothermal reservoirs and thermally enhance oil recovery. The conventional approach to unsaturated flow is applicable, however, to a variety of problems relating to natural (undisturbed) and far-field flow conditions. This paper reviews recent work on numerical modeling of unsaturated flow undertaken in the context of nuclear waste isolation studies. Concepts and applications of broader interest are summarized, and important issues are identified that have not been adequately explored. 84 refs, 8 figs

  20. Saturated-unsaturated flow in a compressible leaky-unconfined aquifer

    Science.gov (United States)

    Mishra, Phoolendra K.; Vesselinov, Velimir V.; Kuhlman, Kristopher L.

    2012-06-01

    An analytical solution is developed for three-dimensional flow towards a partially penetrating large-diameter well in an unconfined aquifer bounded below by a leaky aquitard of finite or semi-infinite extent. The analytical solution is derived using Laplace and Hankel transforms, then inverted numerically. Existing solutions for flow in leaky unconfined aquifers neglect the unsaturated zone following an assumption of instantaneous drainage due to Neuman. We extend the theory of leakage in unconfined aquifers by (1) including water flow and storage in the unsaturated zone above the water table, and (2) allowing the finite-diameter pumping well to partially penetrate the aquifer. The investigation of model-predicted results shows that aquitard leakage leads to significant departure from the unconfined solution without leakage. The investigation of dimensionless time-drawdown relationships shows that the aquitard drawdown also depends on unsaturated zone properties and the pumping-well wellbore storage effects.

  1. Unsaturated flow and transport through fractured rock related to high-level waste repositories

    International Nuclear Information System (INIS)

    Evans, D.D.; Rasmussen, T.C.

    1991-01-01

    Research results are summarized for a US Nuclear Regulatory Commission contract with the University of Arizona focusing on field and laboratory methods for characterizing unsaturated fluid flow and solute transport related to high-level radioactive waste repositories. Characterization activities are presented for the Apache Leap Tuff field site. The field site is located in unsaturated, fractured tuff in central Arizona. Hydraulic, pneumatic, and thermal characteristics of the tuff are summarized, along with methodologies employed to monitor and sample hydrologic and geochemical processes at the field site. Thermohydrologic experiments are reported which provide laboratory and field data related to the effects conditions and flow and transport in unsaturated, fractured rock. 29 refs., 17 figs., 21 tabs

  2. Going greener: Synthesis of fully biobased unsaturated polyesters for styrene crosslinked resins with enhanced thermomechanical properties

    Directory of Open Access Journals (Sweden)

    C. S. M. F. Costa

    2017-11-01

    Full Text Available The main goal of this work was the development of fully biobased unsaturated polyesters (UPs that upon crosslinking with unsaturated monomers (UM could lead to greener unsaturated polyester resins (UPRs with similar thermomechanical properties to commercial fossil based UPR. After the successful synthesis of the biobased UPs, those were crosslinked with styrene (Sty, the most commonly used monomer, and the influence of the chemical structure of the UPs on the thermomechanical characteristics of UPRs were evaluated. The properties were compared with those of a commercial resin (Resipur 9837©. The BioUPRs presented high gel contents and contact angles that are similar to the commercial resin. The thermomechanical properties were evaluated by dynamic mechanical thermal analysis (DMTA and it was found that the UPR synthesized using propylene glycol (PG, succinic acid (SuAc and itaconic acid (ItAc presented very close thermomechanical properties compared to the commercial resin.

  3. Advective and diffusive contributions to reactive gas transport during pyrite oxidation in the unsaturated zone

    DEFF Research Database (Denmark)

    Binning, Philip John; Postma, Diederik Jan; Russel, T.F.

    2007-01-01

    Pyrite oxidation in unsaturated mine waste rock dumps and soils is limited by the supply of oxygen from the atmosphere. In models, oxygen transport through the subsurface is often assumed to be driven by diffusion. However, oxygen comprises 23.2% by mass of dry air, and when oxygen is consumed at...... parameters; for example, the time to approach steady state depends exponentially on the distance between the soil surface and the subsurface reactive zone. Copyright 2007 by the American Geophysical Union....... at depth in the unsaturated zone, a pressure gradient is created between the reactive zone and the ground surface, causing a substantial advective air flow into the subsurface. To determine the balance between advective and diffusive transport, a one-dimensional multicomponent unsaturated zone gas...

  4. Unsaturated Fatty Acid Esters Metathesis Catalyzed by Silica Supported WMe5

    KAUST Repository

    Riache, Nassima

    2015-11-14

    Metathesis of unsaturated fatty acid esters (FAEs) by silica supported multifunctional W-based catalyst is disclosed. This transformation represents a novel route towards unsaturated di-esters. Especially, the self-metathesis of ethyl undecylenate results almost exclusively on the homo-coupling product whereas with such catalyst, 1-decene gives ISOMET (isomerization and metathesis olefin) products. The olefin metathesis in the presence of esters is very selective without any secondary cross-metathesis products demonstrating that a high selective olefin metathesis could operate at 150 °C. Additionally, a cross-metathesis of unsaturated FAEs and α-olefins allowed the synthesis of the corresponding ester with longer hydrocarbon skeleton without isomerisation.

  5. Coordinating Group report

    International Nuclear Information System (INIS)

    1994-01-01

    In December 1992, western governors and four federal agencies established a Federal Advisory Committee to Develop On-site Innovative Technologies for Environmental Restoration and Waste Management (the DOIT Committee). The purpose of the Committee is to advise the federal government on ways to improve waste cleanup technology development and the cleanup of federal sites in the West. The Committee directed in January 1993 that information be collected from a wide range of potential stakeholders and that innovative technology candidate projects be identified, organized, set in motion, and evaluated to test new partnerships, regulatory approaches, and technologies which will lead to improve site cleanup. Five working groups were organized, one to develop broad project selection and evaluation criteria and four to focus on specific contaminant problems. A Coordinating Group comprised of working group spokesmen and federal and state representatives, was set up to plan and organize the routine functioning of these working groups. The working groups were charged with defining particular contaminant problems; identifying shortcomings in technology development, stakeholder involvement, regulatory review, and commercialization which impede the resolution of these problems; and identifying candidate sites or technologies which could serve as regional innovative demonstration projects to test new approaches to overcome the shortcomings. This report from the Coordinating Group to the DOIT Committee highlights the key findings and opportunities uncovered by these fact-finding working groups. It provides a basis from which recommendations from the DOIT Committee to the federal government can be made. It also includes observations from two public roundtables, one on commercialization and another on regulatory and institutional barriers impeding technology development and cleanup

  6. A Preliminary Design of a Calibration Chamber for Evaluating the Stability of Unsaturated Soil Slope

    Science.gov (United States)

    Hsu, H.-H.

    2012-04-01

    The unsaturated soil slopes, which have ground water tables and are easily failure caused by heavy rainfalls, are widely distributed in the arid and semi-arid areas. For analyzing the stability of slope, in situ tests are the direct methods to obtain the test site characteristics. The cone penetration test (CPT) is a popular in situ test method. Some of the CPT empirical equations established from calibration chamber tests. The CPT performed in calibration chamber was commonly used clean quartz sand as testing material in the past. The silty sand is observed in many actual slopes. Because silty sand is relatively compressible than quartz sand, it is not suitable to apply the correlations between soil properties and CPT results built from quartz sand to silty sand. The experience on CPT calibration in silty sand has been limited. CPT calibration tests were mostly performed in dry or saturated soils. The condition around cone tip during penetration is assumed to be fully drained or fully undrained, yet it was observed to be partially drained for unsaturated soils. Because of the suction matrix has a great effect on the characteristics of unsaturated soils, they are much sensitive to the water content than saturated soils. The design of an unsaturated calibration chamber is in progress. The air pressure is supplied from the top plate and the pore water pressure is provided through the high air entry value ceramic disks located at the bottom plate of chamber cell. To boost and uniform distribute the unsaturated effect, four perforated burettes are installed onto the ceramic disks and stretch upwards to the midheight of specimen. This paper describes design concepts, illustrates this unsaturated calibration chamber, and presents the preliminary test results.

  7. Biophysical studies of cholesterol in unsaturated phospholipid model membranes

    Science.gov (United States)

    Williams, Justin Adam

    PUFAs can incorporate into lipid rafts, which are domains enriched in SM and chol in the plasma membrane, and potentially disrupt the activity of signaling proteins that reside therein. DHA, furthermore, may be the more potent component of fish oil. PUFA-chol interactions were also examined through affinity measurements. A novel method utilizing electron paramagnetic resonance (EPR) was developed, to monitor the partitioning of a spin-labeled analog of chol, 3beta-doxyl-5alpha-cholestane (chlstn), between large unilamellar vesicles (LUVs) and methyl-beta-cyclodextrin (mbetaCD). The EPR spectra for chlstn in the two environments are distinguishable due to the substantial differences in tumbling rates, allowing the population distribution ratio to be determined by spectral simulation. Advantages of this approach include speed of implementation and avoidance of potential artifacts associated with physical separation of LUV and mbetaCD. Additionally, in a check of the method, the relative partition coefficients between lipids measured for the spin label analog agree with values obtained for chol by isothermal titration calorimetry (ITC). Results from LUV with different composition confirmed a hierarchy of decreased sterol affinity for phospholipids with increasing acyl chain unsaturation, PDPC possessing half the affinity of the corresponding monounsaturated phospholipid. Taken together, the results of these studies on model membranes demonstrate the potential for PUFA-driven alteration of the architecture of biomembranes, a mechanism through which human health may be impacted.

  8. TOUGH, Unsaturated Groundwater Transport and Heat Transport Simulation

    International Nuclear Information System (INIS)

    Pruess, K.A.; Cooper, C.; Osnes, J.D.

    1992-01-01

    1 - Description of program or function: A successor to the TOUGH program, TOUGH2 offers added capabilities and user features, including the flexibility to handle different fluid mixtures (water, water with tracer; water, CO 2 ; water, air; water, air with vapour pressure lowering, and water, hydrogen), facilities for processing of geometric data (computational grids), and an internal version control system to ensure referenceability of code applications. TOUGH (Transport of Unsaturated Groundwater and Heat) is a multi-dimensional numerical model for simulating the coupled transport of water, vapor, air, and heat in porous and fractured media. The program provides options for specifying injection or withdrawal of heat and fluids. Although primarily designed for studies of high-level nuclear waste isolation in partially saturated geological media, it should also be useful for a wider range of problems in heat and moisture transfer, and in the drying of porous materials. For example, geothermal reservoir simulation problems can be handled simply by setting the air mass function equal to zero on input. The TOUGH simulator was developed for problems involving strongly heat-driven flow. To describe these phenomena a multi-phase approach to fluid and heat flow is used, which fully accounts for the movement of gaseous and liquid phases, their transport of latent transitions between liquid and vapor. TOUGH takes account of fluid flow in both liquid and gaseous phases occurring under pressure, viscous, and gravity forces according to Darcy's law. Interference between the phases is represented by means of relative permeability functions. The code handles binary, but not Knudsen, diffusion in the gas phase and capillary and phase absorption effects for the liquid phase. Heat transport occurs by means of conduction with thermal conductivity dependent on water saturation, convection, and binary diffusion, which includes both sensible and latent heat. 2 - Method of solution: All

  9. Seepage into drifts in unsaturated fractured rock at Yucca Mountain

    International Nuclear Information System (INIS)

    Birkholzer, Jens; Li, Guomin; Tsang, Chin-Fu; Tsang, Yvonne

    1998-01-01

    An important issue for the long-term performance of underground nuclear waste repository is the rate of seepage into the waste emplacement drifts. A prediction of the future seepage rate is particularly complicated for the potential repository site at Yucca Mountain, Nevada, as it is located in thick, partially saturated, fractured tuff formations. The long-term situation in the drifts several thousand years after waste emplacement will be characterized by a relative humidity level close to or equal to 100%, as the drifts will be sealed and unventilated, and the waste packages will have cooled. The underground tunnels will then act as capillary barriers for the unsaturated flow, ideally diverting water around them, if the capillary forces are stronger than gravity and viscous forces. Seepage into the drifts will only be possible if the hydraulic pressure in the rock close to the drift walls increases to positive values; i.e., the flow field becomes locally saturated. In the present work, they have developed and applied a methodology to study the potential rate of seepage into underground cavities embedded in a variably saturated, heterogeneous fractured rock formation. The fractured rock mass is represented as a stochastic continuum where the fracture permeabilities vary by several orders of magnitude. Three different realizations of random fracture permeability fields are generated, with the random permeability structure based on extensive fracture mapping, borehole video analysis, and in-situ air permeability testing. A 3-D numerical model is used to simulate the heterogeneous steady-state flow field around the drift, with the drift geometry explicitly represented within the numerical discretization grid. A variety of flow scenarios are considered assuming present-day and future climate conditions at Yucca Mountain. The numerical study is complemented by theoretical evaluations of the drift seepage problem, using stochastic perturbation theory to develop a better

  10. An exploration of unsaturated zone during in-situ heating test in sedimentary soft rocks

    International Nuclear Information System (INIS)

    Kubota, Kenji; Suzuki, Koichi; Ikenoya, Takafumi; Takakura, Nozomu; Tani, Kazuo

    2011-01-01

    In-situ heating test has been conducted to evaluate the influence of high temperature in an underground facility at a depth of 50 m. Resistivity monitoring is thought to be effective to map the extent of the high temperature and unsaturated zone. So we have conducted resistivity tomography during the heating test. As a result, the resistivity of the rock mass around the heating well was decreased and this area was gradually expanded from the heated area during the heating. This suggests that high temperature zone is detected by resistivity tomography. The results also suggested that resistivity was increased by unsaturation of rock mass around the heating well. (author)

  11. Effect of water content on dispersion of transferred solute in unsaturated porous media

    Energy Technology Data Exchange (ETDEWEB)

    Latrille, C. [CEA Saclay, DEN/DANS/DPC/SECR/L3MR, 91191 Gif sur Yvette (France)

    2013-07-01

    Estimating contaminant migration in the context of waste disposal and/or environmental remediation of polluted soils requires a complete understanding of the underlying transport processes. In unsaturated porous media, water content impacts directly on porous solute transfer. Depending on the spatial distribution of water content, the flow pathway is more complex than in water saturated media. Dispersivity is consequently dependent on water content. Non-reactive tracer experiments performed using unsaturated sand columns confirm the dependence of dispersivity with pore velocity; moreover, a power law relationship between dispersivity and water content is evidenced. (authors)

  12. Research program to develop and validate conceptual models for flow and transport through unsaturated, fractured rock

    International Nuclear Information System (INIS)

    Glass, R.J.; Tidwell, V.C.

    1991-09-01

    As part of the Yucca Mountain Project, our research program to develop and validate conceptual models for flow and transport through unsaturated fractured rock integrates fundamental physical experimentation with conceptual model formulation and mathematical modeling. Our research is directed toward developing and validating macroscopic, continuum-based models and supporting effective property models because of their widespread utility within the context of this project. Success relative to the development and validation of effective property models is predicted on a firm understanding of the basic physics governing flow through fractured media, specifically in the areas of unsaturated flow and transport in a single fracture and fracture-matrix interaction

  13. Research program to develop and validate conceptual models for flow and transport through unsaturated, fractured rock

    International Nuclear Information System (INIS)

    Glass, R.J.; Tidwell, V.C.

    1991-01-01

    As part of the Yucca Mountain Project, our research program to develop and validate conceptual models for flow and transport through unsaturated fractured rock integrates fundamental physical experimentation with conceptual model formulation and mathematical modeling. Our research is directed toward developing and validating macroscopic, continuum-based models and supporting effective property models because of their widespread utility within the context of this project. Success relative to the development and validation of effective property models is predicated on a firm understanding of the basic physics governing flow through fractured media, specifically in the areas of unsaturated flow and transport in a single fracture and fracture-matrix interaction. 43 refs

  14. 36Cl measurements of the unsaturated zone flux at Yucca Mountain

    International Nuclear Information System (INIS)

    Norris, A.E.; Wolfsberg, K.; Gifford, S.K.

    1985-01-01

    Determining the unsaturated zone percolation rate, or flux, is an extremely important site characterization issue for the proposed Yucca Mountain nuclear waste repository. A new technique that measures the 36 Cl content of tuff from the Exploratory Shaft will be used to calculate flux through the unsaturated zone over longer times than could be measured by the more conventional 14 C method. Measurements of the 36 Cl ''bomb pulse'' in soil samples from Yucca Mountain have been used to confirm that infiltration is not an important recharge mechanism. 5 refs., 3 figs

  15. Diastereoselective and enantioselective conjugate addition reactions utilizing α,β-unsaturated amides and lactams

    Directory of Open Access Journals (Sweden)

    Katherine M. Byrd

    2015-04-01

    Full Text Available The conjugate addition reaction has been a useful tool in the formation of carbon–carbon bonds. The utility of this reaction has been demonstrated in the synthesis of many natural products, materials, and pharmacological agents. In the last three decades, there has been a significant increase in the development of asymmetric variants of this reaction. Unfortunately, conjugate addition reactions using α,β-unsaturated amides and lactams remain underdeveloped due to their inherently low reactivity. This review highlights the work that has been done on both diastereoselective and enantioselective conjugate addition reactions utilizing α,β-unsaturated amides and lactams.

  16. Creep model of unsaturated sliding zone soils and long-term deformation analysis of landslides

    Science.gov (United States)

    Zou, Liangchao; Wang, Shimei; Zhang, Yeming

    2015-04-01

    Sliding zone soil is a special soil layer formed in the development of a landslide. Its creep behavior plays a significant role in long-term deformation of landslides. Due to rainfall infiltration and reservoir water level fluctuation, the soils in the slide zone are often in unsaturated state. Therefore, the investigation of creep behaviors of the unsaturated sliding zone soils is of great importance for understanding the mechanism of the long-term deformation of a landslide in reservoir areas. In this study, the full-process creep curves of the unsaturated soils in the sliding zone in different net confining pressure, matric suctions and stress levels were obtained from a large number of laboratory triaxial creep tests. A nonlinear creep model for unsaturated soils and its three-dimensional form was then deduced based on the component model theory and unsaturated soil mechanics. This creep model was validated with laboratory creep data. The results show that this creep model can effectively and accurately describe the nonlinear creep behaviors of the unsaturated sliding zone soils. In order to apply this creep model to predict the long-term deformation process of landslides, a numerical model for simulating the coupled seepage and creep deformation of unsaturated sliding zone soils was developed based on this creep model through the finite element method (FEM). By using this numerical model, we simulated the deformation process of the Shuping landslide located in the Three Gorges reservoir area, under the cycling reservoir water level fluctuation during one year. The simulation results of creep displacement were then compared with the field deformation monitoring data, showing a good agreement in trend. The results show that the creeping deformations of landslides have strong connections with the changes of reservoir water level. The creep model of unsaturated sliding zone soils and the findings obtained by numerical simulations in this study are conducive to

  17. Quantification of groundwater recharge through application of pilot techniques in the unsaturated zone.

    Science.gov (United States)

    Kallioras, Andreas; Piepenbrink, Matthias; Schuth, Christoph; Pfletschinger, Heike; Dietrich, Peter; Koeniger, Franz; Rausch, Randolf

    2010-05-01

    Accurate determination of groundwater recharge is a key issue for the "smart mining" of groundwater resources. Groundwater recharge estimation techniques depend on the investigated hydrologic zone, and therefore main approaches are based on (a) unsaturated zone, (b) saturated zone and (c) surface water studies. This research contributes to the determination of groundwater recharge by investigating the infiltration of groundwater through the unsaturated zone. The investigations are conducted through the application of a combination of different pilot field as well as lab techniques. The field techniques include the installation of specially designed Time Domain Reflectometry (TDR) sensors, at different depths within the unsaturated zone for in-situ and continuous measurements of the volumetric pore water content. Additionally, the extraction of pore water -for analysis of its isotopic composition- from multilevel undisturbed soil samples through significant depths within the unsaturated zone column, enables the dating of the groundwater age through the determination of its isotopic composition. The in-situ investigation of the unsaturated zone is complemented by the determination of high resolution temperature profiles. The installation of the pilot TDR sensors is achieved by using direct push methods at significant depths within the unsaturated zone, providing continuous readings of the soil moisture content. The direct push methods are also ideal for multilevel sampling of undisturbed -without using any drilling fluids which affect the isotopic composition of the containing pore water- soil and consequent extraction of the included pore water for further isotopic determination. The pore water is extracted by applying the method of azeotropic distillation; a method which has the least isotopic fractionation effects on groundwater samples. The determination of different isotopic signals such as 18O, 2H, 3H, and 36Cl, aims to the investigation of groundwater transit

  18. Steady state method to determine unsaturated hydraulic conductivity at the ambient water potential

    Science.gov (United States)

    HUbbell, Joel M.

    2014-08-19

    The present invention relates to a new laboratory apparatus for measuring the unsaturated hydraulic conductivity at a single water potential. One or more embodiments of the invented apparatus can be used over a wide range of water potential values within the tensiometric range, requires minimal laboratory preparation, and operates unattended for extended periods with minimal supervision. The present invention relates to a new laboratory apparatus for measuring the unsaturated hydraulic conductivity at a single water potential. One or more embodiments of the invented apparatus can be used over a wide range of water potential values within the tensiometric range, requires minimal laboratory preparation, and operates unattended for extended periods with minimal supervision.

  19. Research program to develop and validate conceptual models for flow and transport through unsaturated, fractured rock

    International Nuclear Information System (INIS)

    Glass, R.J.; Tidwell, V.C.

    1991-01-01

    As part of the Yucca Mountain Project, our research program to develop and validate conceptual models for flow and transport through unsaturated fractured rock integrates fundamental physical experimentation with conceptual model formulation and mathematical modeling. Our research is directed toward developing and validating macroscopic, continuum-based models and supporting effective property models because of their widespread utility within the context of this project. Success relative to the development and validation of effective property models is predicted on a firm understanding of the basic physics governing flow through fractured media, specifically in the areas of unsaturated flow and transport in a single fracture and fracture-matrix interaction

  20. Permeable barrier materials for strontium immobilization: Unsaturated flow apparatus determination of hydraulic conductivity -- Column sorption experiments

    International Nuclear Information System (INIS)

    Moody, T.E.; Conca, J.

    1996-09-01

    Selected materials were tested to emulate a permeable barrier and to examine the (1) capture efficiency of these materials relating to the immobilization of strontium-90 and hexavalent chromium (Cr 6+ ) in Hanford Site groundwater; and (2) hydraulic conductivity of the barrier material relative to the surrounding area. The emplacement method investigated was a permeable reactive barrier to treat contaminated groundwater as it passes through the barrier. The hydraulic conductivity function was measured for each material, and retardation column experiments were performed for each material. Measurements determining the hydraulic conductivity at unsaturated through saturated water content were executed using the Unsaturated Flow Apparatus

  1. Coordinates in relativistic Hamiltonian mechanics

    International Nuclear Information System (INIS)

    Sokolov, S.N.

    1984-01-01

    The physical (covariant and measurable) coordinates of free particles and covariant coordinates of the center of inertia are found for three main forms of relativistic dynamics. In the point form of dynamics, the covariant coordinates of two directly interacting particles are found, and the equations of motion are brought to the explicitly covariant form. These equations are generalized to the case of interaction with an external electromagnetic field

  2. Improved forward and inverse analyses of saturated-unsaturated flow toward a well in a compressible unconfined aquifer

    Science.gov (United States)

    Mishra, Phoolendra Kumar; Neuman, Shlomo P.

    2010-07-01

    We present an analytical solution for flow to a partially penetrating well in a compressible unconfined aquifer that allows inferring its saturated and unsaturated hydraulic properties from drawdowns recorded in the saturated and/or unsaturated zone. We improve upon a previous such solution due to Tartakovsky and Neuman (2007) by (1) adopting a more flexible representation of unsaturated zone constitutive properties and (2) allowing the unsaturated zone to have finite thickness. Both solutions account for horizontal as well as vertical flows throughout the system. We investigate the effects of unsaturated zone constitutive parameters and thickness on drawdowns in the saturated and unsaturated zones as functions of position and time; demonstrate the development of significant horizontal hydraulic gradients in the unsaturated zone in response to pumping; validate our solution against numerical simulations of drawdown in a synthetic aquifer having unsaturated properties described by the van Genuchten-Mualem constitutive model; use our solution to analyze drawdown data from a pumping test conducted by the U.S. Geological Survey at Cape Cod, Massachusetts; and compare our estimates of van Genuchten-Mualem parameters with laboratory values obtained for similar materials in the area.

  3. BUILDING CONCEPTUAL AND MATHEMATICAL MODEL FOR WATER FLOW AND SOLUTE TRANSPORT IN THE UNSATURATED ZONE AT KOSNICA SITE

    Directory of Open Access Journals (Sweden)

    Stanko Ružičić

    2012-12-01

    Full Text Available Conceptual model of flow and solute transport in unsaturated zone at Kosnica site, which is the basis for modeling pollution migration through the unsaturated zone to groundwater, is set up. The main characteristics of the unsaturated zone of the Kosnica site are described. Detailed description of investigated profile of unsaturated zone, with all necessary analytical results performed and used in building of conceptual models, is presented. Experiments that are in progress and processes which are modeled are stated. Monitoring of parameters necessary for calibration of models is presented. The ultimate goal of research is risk assessment of groundwater contamination at Kosnica site that has its source in or on unsaturated zone.

  4. Time-lapse gravity data for monitoring and modeling artificial recharge through a thick unsaturated zone

    Science.gov (United States)

    Kennedy, Jeffrey R.; Ferre, Ty P.A.; Creutzfeldt, Benjamin

    2016-01-01

    Groundwater-level measurements in monitoring wells or piezometers are the most common, and often the only, hydrologic measurements made at artificial recharge facilities. Measurements of gravity change over time provide an additional source of information about changes in groundwater storage, infiltration, and for model calibration. We demonstrate that for an artificial recharge facility with a deep groundwater table, gravity data are more sensitive to movement of water through the unsaturated zone than are groundwater levels. Groundwater levels have a delayed response to infiltration, change in a similar manner at many potential monitoring locations, and are heavily influenced by high-frequency noise induced by pumping; in contrast, gravity changes start immediately at the onset of infiltration and are sensitive to water in the unsaturated zone. Continuous gravity data can determine infiltration rate, and the estimate is only minimally affected by uncertainty in water-content change. Gravity data are also useful for constraining parameters in a coupled groundwater-unsaturated zone model (Modflow-NWT model with the Unsaturated Zone Flow (UZF) package).

  5. Catalytic Intermolecular Cross-Couplings of Azides and LUMO-Activated Unsaturated Acyl Azoliums

    KAUST Repository

    Li, Wenjun

    2017-02-15

    An example for the catalytic synthesis of densely functionalized 1,2,3-triazoles through a LUMO activation mode has been developed. The protocol is enabled by intermolecular cross coupling reactions of azides with in situ-generated alpha,beta-unsaturated acyl azoliums. High yields and broad scope as well as the investigation of reaction mechanism are reported.

  6. Effects of sand compaction and mixing on pore structure and the unsaturated soil hydraulic properties

    NARCIS (Netherlands)

    Mahmoodlu, Mojtaba Ghareh; Raoof, A.; Sweijen, T.; van Genuchten, M. Th

    2016-01-01

    The hydraulic properties of unsaturated porous media very much depend on their pore structure as defined by the size, arrangement, and connectivity of pores. Several empirical and quasi-empirical approaches have been used over the years to derive pore structure information from the particle size

  7. Unsaturated hydraulic properties of xerophilous mosses: towards implementation of moss covered soils in hydrological models

    NARCIS (Netherlands)

    Voortman, B.R.; Bartholomeus, R.P.; Bodegom, van P.M.; Gooren, H.P.A.; Zee, van der S.E.A.T.M.; Witte, J.P.M.

    2014-01-01

    Evaporation from mosses and lichens can form a major component of the water balance, especially in ecosystems where mosses and lichens often grow abundantly, such as tundra, deserts and bogs. To facilitate moss representation in hydrological models, we parameterized the unsaturated hydraulic

  8. Experimental evidence of lateral flow in unsaturated homogeneous isotropic sloping soil due to rainfall

    NARCIS (Netherlands)

    Sinai, G.; Dirksen, C.

    2006-01-01

    This paper describes laboratory experimental evidence for lateral flow in the top layer of unsaturated sloping soil due to rainfall. Water was applied uniformly on horizontal and V-shaped surfaces of fine sand, at rates about 100 times smaller than the saturated hydraulic conductivity. Flow regimes

  9. Biodiesel unsaturation degree effects on diesel engine NOx emissions and cotton wick flame temperature

    Directory of Open Access Journals (Sweden)

    Abdullah Mohd Fareez Edzuan

    2017-01-01

    Full Text Available As compared with conventional diesel fuel, biodiesel has better lubricity and lower particulate matter (PM emissions however nitrogen oxides (NOx emissions generally increase in biodiesel-fuelled diesel engine. Strict regulation on NOx emissions is being implemented in current Euro 6 standard and it is expected to be tighter in next standard, thus increase of NOx cannot be accepted. In this study, biodiesel unsaturation degree effects on NOx emissions are investigated. Canola, palm and coconut oils are selected as the feedstock based on their unsaturation degree. Biodiesel blends of B20 were used to fuel a single cylinder diesel engine and exhaust emissions were sampled directly at exhaust tailpipe with a flue gas analyser. Biodiesel flame temperature was measured from a cotton wick burned in simple atmospheric conditions using a thermocouple. Fourier transform infrared (FTIR spectrometer was also used to identify the functional groups presence in the biodiesel blends. Oxygen content in biodiesel may promote complete combustion as the NOx emissions and flame temperatures were increased while the carbon monoxide (CO emissions were decreased for all biodiesel blends. It is interesting to note that the NOx emissions and flame temperatures were directly proportional with biodiesel unsaturation degree. It might be suggested that apart from excess oxygen and free radical formation, higher NOx emissions can also be caused by the elevated flame temperatures due to the presence of double bonds in unsaturated biodiesel.

  10. Analysis of gaseous-phase stable and radioactive isotopes in the unsaturated zone, Yucca Mountain, Nevada

    International Nuclear Information System (INIS)

    Yang, I.C.; Haas, H.H.; Weeks, E.P.; Thorstenson, D.C.

    1985-01-01

    The Nevada Nuclear Waste Storage Investigations Project of the US Department of Energy provides that agency with data for evaluating volcanic tuff beneath Yucca Mountain, Nevada, to determine its suitability for a potential repository of high-level radioactive waste. Thickness of the unsaturated zone, which consists of fractured, welded and nonwelded tuff, is about 1640 to 2460 feet (500 to 750 meters). One question to be resolved is an estimate of minimum ground-water traveltime from the disturbed zone of the potentail repository to the accessible environment. Another issue is the potential for diffusive or convective gaseous transport of radionuclides from an underground facility in the unsaturated zone to the accessible environment. Gas samples were collected at intervals to a depth of 1200 feet from the unsaturated zone at Yucca Mountain, Nevada. Samples were analyzed for major atmospheric gases; carbon dioxide in the samples was analyzed for carbon-14 activity and for delta 13 C; water vapor in the samples was analyzed for deuterium and oxygen-18. These data could provide insight into the nature of unsaturated zone transport processes. 15 refs., 4 figs., 4 tabs

  11. MODELING COUPLED PROCESSES OF MULTIPHASE FLOW AND HEAT TRANSFER IN UNSATURATED FRACTURED ROCK

    International Nuclear Information System (INIS)

    Y. Wu; S. Mukhopadhyay; K. Zhang; G.S. Bodvarsson

    2006-01-01

    A mountain-scale, thermal-hydrologic (TH) numerical model is developed for investigating unsaturated flow behavior in response to decay heat from the radioactive waste repository at Yucca Mountain, Nevada, USA. The TH model, consisting of three-dimensional (3-D) representations of the unsaturated zone, is based on the current repository design, drift layout, and thermal loading scenario under estimated current and future climate conditions. More specifically, the TH model implements the current geological framework and hydrogeological conceptual models, and incorporates the most updated, best-estimated input parameters. This mountain-scale TH model simulates the coupled TH processes related to mountain-scale multiphase fluid flow, and evaluates the impact of radioactive waste heat on the hydrogeological system, including thermally perturbed liquid saturation, gas- and liquid-phase fluxes, and water and rock temperature elevations, as well as the changes in water flux driven by evaporation/condensation processes and drainage between drifts. For a better description of the ambient geothermal condition of the unsaturated zone system, the TH model is first calibrated against measured borehole temperature data. The ambient temperature calibration provides the necessary surface and water table boundary as well as initial conditions. Then, the TH model is used to obtain scientific understanding of TH processes in the Yucca Mountain unsaturated zone under the designed schedule of repository thermal load

  12. Geochemical modelling of hydrogen gas migration in an unsaturated bentonite buffer

    NARCIS (Netherlands)

    Sedighi, M.; Thomas, H.R.; Al Masum, S.; Vardon, P.J.; Nicholson, D.; Chen, Q.

    2014-01-01

    This paper presents an investigation of the transport and fate of hydrogen gas through compacted bentonite buffer. Various geochemical reactions that may occur in the multiphase and multicomponent system of the unsaturated bentonite buffer are considered. A reactive gas transport model, developed

  13. Effective stress in unsaturated soils: A thermodynamic approach based on the interfacial energy and hydromechanical coupling

    NARCIS (Netherlands)

    Nikooee, E.; Habibagahi, G.; Hassanizadeh, S.M.; Ghahramani, A.

    2012-01-01

    In recent years, the effective stress approach has received much attention in the constitutive modeling of unsaturated soils. In this approach, the effective stress parameter is very important. This parameter needs a correct definition and has to be determined properly. In this paper, a

  14. Bridging effective stress and soil water retention equations in deforming unsaturated porous media : A Thermodynamic Approach

    NARCIS (Netherlands)

    Huyghe, J. M.; Nikooee, E.; Hassanizadeh, S. M.

    The finite deformation of an unsaturated porous medium is analysed from first principles of mixture theory. An expression for Bishop’s effective stress is derived from (1) the deformation-dependent Brooks and Corey’s water retention curve and (2) the restrictions on the constitutive relationships of

  15. Maximum likelihood Bayesian averaging of airflow models in unsaturated fractured tuff using Occam and variance windows

    NARCIS (Netherlands)

    Morales-Casique, E.; Neuman, S.P.; Vesselinov, V.V.

    2010-01-01

    We use log permeability and porosity data obtained from single-hole pneumatic packer tests in six boreholes drilled into unsaturated fractured tuff near Superior, Arizona, to postulate, calibrate and compare five alternative variogram models (exponential, exponential with linear drift, power,

  16. New Class of Solutions for Water Infiltration Problems in Unsaturated Soils

    DEFF Research Database (Denmark)

    Barari, Amin; Omidvar, M; Momeni, M

    2010-01-01

    This paper presents the results of approximate analytical solutions to Richards’ equation, which governs the problem of unsaturated flow in porous media. The existing methods generally fall within the category of numerical and analytical methods, often having many restrictions for practical situa...

  17. The foam drainage equation for drainage dynamics in unsaturated porous media

    Science.gov (United States)

    Lehmann, P.; Hoogland, F.; Assouline, S.; Or, D.

    2017-07-01

    Similarity in liquid-phase configuration and drainage dynamics of wet foam and gravity drainage from unsaturated porous media expands modeling capabilities for capillary flows and supplements the standard Richards equation representation. The governing equation for draining foam (or a soil variant termed the soil foam drainage equation—SFDE) obviates the need for macroscopic unsaturated hydraulic conductivity function by an explicit account of diminishing flow pathway sizes as the medium gradually drains. The study provides new and simple analytical expressions for drainage rates and volumes from unsaturated porous media subjected to different boundary conditions. Two novel analytical solutions for saturation profile evolution were derived and tested in good agreement with a numerical solution of the SFDE. The study and the proposed solutions rectify the original formulation of foam drainage dynamics of Or and Assouline (2013). The new framework broadens the scope of methods available for quantifying unsaturated flow in porous media, where the intrinsic conductivity and geometrical representation of capillary drainage could improve understanding of colloid and pathogen transport. The explicit geometrical interpretation of flow pathways underlying the hydraulic functions used by the Richards equation offers new insights that benefit both approaches.

  18. A framework for sourcing of evaporation between saturated and unsaturated zone in bare soil condition

    NARCIS (Netherlands)

    Balugani, E.; Lubczynski, M.W.; Metselaar, Klaas

    2016-01-01

    Sourcing subsurface evaporation (Ess) into groundwater (Eg) and unsaturated zone (Eu) components has received little scientific attention so far, despite its importance in water management and agriculture. We propose a novel sourcing framework, with its

  19. A framework for sourcing of evaporation between saturated and unsaturated zone in bare soil condition

    NARCIS (Netherlands)

    Balugani, E.; Lubczynski, M.; Metselaar, K.A.

    2016-01-01

    Sourcing subsurface evaporation (Ess) into groundwater (Eg) and unsaturated zone (Eu) components has received little scientific attention so far, despite its importance in water management and agriculture. We propose a novel sourcing framework, with its implementation in dedicated post-processing

  20. The Effect of Intra-Ruminal Infusion of Saturated and Unsaturated ...

    African Journals Online (AJOL)

    This study investigated the effect of different proportional combinations of a saturated fatty acid (Palmitic acid, PA) and unsaturated fatty acid (Linolenic acid, LA) on rumen outflow rate (r) in West African dwarf (WAD) sheep. A 5x5 Latin square experimental model of five sheep and five combination proportions of palmitic and ...

  1. Lithological Effects on Evaporation and Direct Infiltration Through the Unsaturated Zone in Damascus Oasis (Syria)

    International Nuclear Information System (INIS)

    Abou zakhem, B.

    2004-01-01

    Soil water movement is directly affected by the lithology and texture of soil profile. The objective of this study is to determine water movement mechanism through the unsaturated zone, by estimating the direct infiltration rate and evaporation process in Damascus Oasis, using isotope techniques. Two soil profiles were drilled using a hand-auger. Soil samples were subjected to granulometry, mineralogy, chemical and isotopic analysis. Isotopic measurements indicate that the evaporation front is located at shallow depth between 0 and 2 m. Variations in isotopic content indicate to the alternation of wet and dry periods corresponding to infiltration and evaporation processes respectively. Results show considerable difference in isotopic content between the unsaturated zone and the groundwater, which is mainly attributed to limited recharge of the aquifer through the unsaturated. Whereas the indirect groundwater recharge is considered to be more predominant. Chloride concentration correspond to stable isotopes in the unsaturated zone, it increases proportionally with the evaporation rate. Using chemical balance of Chloride, it was possible to estimate the effective recharge average rate which is ranging between 1.8 mm/y and 0.45 mm/y. The calculated mean evaporation rate according to Barnes and Allison model is 18.1 mm/y at water table level of 3 m depth. This rate decreases to 2.4 mm/y at 6 m depth. (author)

  2. Saturated and unsaturated stability analysis of slope subjected to rainfall infiltration

    Directory of Open Access Journals (Sweden)

    Gofar Nurly

    2017-01-01

    Full Text Available This paper presents results of saturated and unsaturated stability analysis of typical residual slopes subjected to rainfall infiltration corresponds to 50 years rainfall return period. The slope angles considered were 45° and 70°. The saturated stability analyses were carried out for original and critical ground water level commonly considered by practicing engineer. The analyses were conducted using limit equilibrium method. Unsaturated stability analyses used combination of coupled stress–pore-water pressure analysis to evaluate the effect of rainfall infiltration on the deformation and transient pore-water pressure on slope stability. Slope stability analyses were performed at some times during and after rainfall infiltration. Results show that the critical condition for slope made by sandy material was at the end of rainfall while for clayey material was at some specified times after the rainfall ceased. Unsaturated stability analysis on sandy soil gives higher factor of safety because the soil never reached saturation. Transient analysis using unsaturated soil concept could predict more critical condition of delayed failure of slopes made up of clayey soil.

  3. Advective and diffusive contributions to reactive gas transport during pyrite oxidation in the unsaturated zone

    NARCIS (Netherlands)

    Binning, P. J.; POSTMA, D; Russell, T. F.; Wesselingh, J. A.; Boulin, P. F.

    2007-01-01

    [1] Pyrite oxidation in unsaturated mine waste rock dumps and soils is limited by the supply of oxygen from the atmosphere. In models, oxygen transport through the subsurface is often assumed to be driven by diffusion. However, oxygen comprises 23.2% by mass of dry air, and when oxygen is consumed

  4. Multimodel analysis of anisotropic diffusive tracer-gas transport in a deep arid unsaturated zone

    Science.gov (United States)

    Green, Christopher T.; Walvoord, Michelle Ann; Andraski, Brian J.; Striegl, Robert G.; Stonestrom, David A.

    2015-01-01

    Gas transport in the unsaturated zone affects contaminant flux and remediation, interpretation of groundwater travel times from atmospheric tracers, and mass budgets of environmentally important gases. Although unsaturated zone transport of gases is commonly treated as dominated by diffusion, the characteristics of transport in deep layered sediments remain uncertain. In this study, we use a multimodel approach to analyze results of a gas-tracer (SF6) test to clarify characteristics of gas transport in deep unsaturated alluvium. Thirty-five separate models with distinct diffusivity structures were calibrated to the tracer-test data and were compared on the basis of Akaike Information Criteria estimates of posterior model probability. Models included analytical and numerical solutions. Analytical models provided estimates of bulk-scale apparent diffusivities at the scale of tens of meters. Numerical models provided information on local-scale diffusivities and feasible lithological features producing the observed tracer breakthrough curves. The combined approaches indicate significant anisotropy of bulk-scale diffusivity, likely associated with high-diffusivity layers. Both approaches indicated that diffusivities in some intervals were greater than expected from standard models relating porosity to diffusivity. High apparent diffusivities and anisotropic diffusivity structures were consistent with previous observations at the study site of rapid lateral transport and limited vertical spreading of gas-phase contaminants. Additional processes such as advective oscillations may be involved. These results indicate that gases in deep, layered unsaturated zone sediments can spread laterally more quickly, and produce higher peak concentrations, than predicted by homogeneous, isotropic diffusion models.

  5. Thermo-hydro mechanical modeling in unsaturated hard clay: application to nuclear waste storage

    International Nuclear Information System (INIS)

    Jia, Y.

    2006-07-01

    This work presents an elastoplastic damage model for argillite in unsaturated conditions. A short resume of experimental investigations is presented in the first part. The results obtained show an important plastic deformation coupled with damage induced by initiation and growth of microcracks. Influences of water content on the mechanical behaviour are also investigated. Based on experimental data and micro-mechanical considerations, a general constitutive model is proposed for the poro-mechanical behavior of argillite in unsaturated conditions. The time dependent creep has also been incorporated in they model. The performance of the model is examined by comparing numerical simulation with experimental data in various load paths under saturated and unsaturated conditions. Finally, the model is applied to hydro-mechanical coupling study of the REP experiment and thermo-hydro-mechanical coupling study of the HE-D experiment. A good agreement is obtained between experimental data and numerical predictions. It has been shown that the proposed model describe correctly the main features of the mechanical behaviour of unsaturated rocks. (author)

  6. Structural Analysis of Unsaturated Glycosphingolipids Using Shotgun Ozone-Induced Dissociation Mass Spectrometry

    Science.gov (United States)

    Barrientos, Rodell C.; Vu, Ngoc; Zhang, Qibin

    2017-08-01

    Glycosphingolipids are essential biomolecules widely distributed across biological kingdoms yet remain relatively underexplored owing to both compositional and structural complexity. While the glycan head group has been the subject of most studies, there is paucity of reports on the lipid moiety, particularly the location of unsaturation. In this paper, ozone-induced dissociation mass spectrometry (OzID-MS) implemented in a traveling wave-based quadrupole time-of-flight (Q-ToF) mass spectrometer was applied to study unsaturated glycosphingolipids using shotgun approach. Resulting high resolution mass spectra facilitated the unambiguous identification of diagnostic OzID product ions. Using [M+Na]+ adducts of authentic standards, we observed that the long chain base and fatty acyl unsaturation had distinct reactivity with ozone. The reactivity of unsaturation in the fatty acyl chain was about 8-fold higher than that in the long chain base, which enables their straightforward differentiation. Influence of the head group, fatty acyl hydroxylation, and length of fatty acyl chain on the oxidative cleavage of double bonds was also observed. Application of this technique to bovine brain galactocerebrosides revealed co-isolated isobaric and regioisomeric species, which otherwise would be incompletely identified using contemporary collision-induced dissociation (CID) alone. These results highlight the potential of OzID-MS in glycosphingolipids research, which not only provides complementary structural information to existing CID technique but also facilitates de novo structural determination of these complex biomolecules. [Figure not available: see fulltext.

  7. Antiprotozoal Activity of α,β-Unsaturated δ-Lactones: Promising ...

    African Journals Online (AJOL)

    The parasite resistance and side effects of drugs used to treat protozoal diseases have led to the search for new therapies, both natural and synthetic. Studies have shown that various α,β-unsaturated δ-lactones displayed high antiprotozoal activity and thus are promising compounds for new drug discovery and ...

  8. Unsaturated flow characterization utilizing water content data collected within the capillary fringe

    Science.gov (United States)

    Baehr, Arthur; Reilly, Timothy J.

    2014-01-01

    An analysis is presented to determine unsaturated zone hydraulic parameters based on detailed water content profiles, which can be readily acquired during hydrological investigations. Core samples taken through the unsaturated zone allow for the acquisition of gravimetrically determined water content data as a function of elevation at 3 inch intervals. This dense spacing of data provides several measurements of the water content within the capillary fringe, which are utilized to determine capillary pressure function parameters via least-squares calibration. The water content data collected above the capillary fringe are used to calculate dimensionless flow as a function of elevation providing a snapshot characterization of flow through the unsaturated zone. The water content at a flow stagnation point provides an in situ estimate of specific yield. In situ determinations of capillary pressure function parameters utilizing this method, together with particle-size distributions, can provide a valuable supplement to data libraries of unsaturated zone hydraulic parameters. The method is illustrated using data collected from plots within an agricultural research facility in Wisconsin.

  9. Film thinning in unsaturated superfluid 4He films during persistent flow

    International Nuclear Information System (INIS)

    Ekholm, D.T.; Hallock, R.B.

    1979-01-01

    We report measurements of the thickness of unsaturated superfluid 4 He films in persistent flow as a function of persistent current velocity. Our results are in quantitative agreement with the predictions of Kontorovich, and thus disagree with the conclusion of Rudnick and coworkers that rho/sub s//rho has an enhanced velocity dependence in these films

  10. A novel definition of the overall hyper-wiener index for unsaturated hydrocarbons.

    Science.gov (United States)

    Li, Xinhua; Hu, Maolin; Xiao, Hongping

    2004-01-01

    By replacing the distances between pairs of vertices with the relative distances, we define a novel overall hyper-Wiener index (NOR); the novel overall hyper-Wiener index extends the usefulness of the hyper-Wiener index and the overall hyper-Wiener index to unsaturated hydrocarbons.

  11. Unsaturated aldehydes as alkene equivalents in the Diels-Alder reaction

    DEFF Research Database (Denmark)

    Taarning, Esben; Madsen, Robert

    2008-01-01

    A one-pot procedure is described for using alpha,beta-unsaturated aldehydes as olefin equivalents in the Diels-Alder reaction. The method combines the normal electron demand cycloaddition with aldehyde dienophiles and the rhodium-catalyzed decarbonylation of aldehydes to afford cyclohexenes...

  12. Effects of Unsaturated Zones on Baseflow Recession: Analytical Solution and Application

    Science.gov (United States)

    Zhan, H.; Liang, X.; Zhang, Y. K.

    2017-12-01

    Unsaturated flow is an important process in baseflow recessions and its effect is rarely investigated. A mathematical model for a coupled unsaturated-saturated flow in a horizontally unconfined aquifer with time-dependent infiltrations is presented. Semi-analytical solutions for hydraulic heads and discharges are derived using Laplace transform and Cosine transform. The solutions are compared with solutions of the linearized Boussinesq equation (LB solution) and the linearized Laplace equation (LL solution), respectively. The result indicates that a larger dimensionless constitutive exponent κD of the unsaturated zone leads to a smaller discharge during the infiltration period and a larger discharge after the infiltration. The lateral discharge of the unsaturated zone is significant when κD≤1, and becomes negligible when κD≥100. For late times, the power index b of the recession curve-dQ/dt aQb, is 1 and independent of κD, where Q is the baseflow and a is a constant lumped aquifer parameter. For early times, b is approximately equal to 3 but it approaches infinity when t→1. The present solution is applied to synthetic and field cases. The present solution matched the synthetic data better than both the LL and LB solutions, with a minimum relative error of 16% for estimate of hydraulic conductivity. The present solution was applied to the observed streamflow discharge in Iowa, and the estimated values of the aquifer parameters were reasonable.

  13. Method of coupling 1-D unsaturated flow with 3-D saturated flow on large scale

    Directory of Open Access Journals (Sweden)

    Yan Zhu

    2011-12-01

    Full Text Available A coupled unsaturated-saturated water flow numerical model was developed. The water flow in the unsaturated zone is considered the one-dimensional vertical flow, which changes in the horizontal direction according to the groundwater table and the atmospheric boundary conditions. The groundwater flow is treated as the three-dimensional water flow. The recharge flux to groundwater from soil water is considered the bottom flux for the numerical simulation in the unsaturated zone, and the upper flux for the groundwater simulation. It connects and unites the two separated water flow systems. The soil water equation is solved based on the assumed groundwater table and the subsequent predicted recharge flux. Then, the groundwater equation is solved with the predicted recharge flux as the upper boundary condition. Iteration continues until the discrepancy between the assumed and calculated groundwater nodal heads have a certain accuracy. Illustrative examples with different water flow scenarios regarding the Dirichlet boundary condition, the Neumann boundary condition, the atmospheric boundary condition, and the source or sink term were calculated by the coupled model. The results are compared with those of other models, including Hydrus-1D, SWMS-2D, and FEFLOW, which demonstrate that the coupled model is effective and accurate and can significantly reduce the computational time for the large number of nodes in saturated-unsaturated water flow simulation.

  14. Unsaturated fatty acids lactose esters: cytotoxicity, permeability enhancement and antimicrobial activity

    OpenAIRE

    Lucarini, Simone; Fagioli, Laura; Campana, Raffaella; Cole, Hannah; Duranti, Andrea; Baffone, Wally; Vllasaliu, Driton; Casettari, Luca

    2016-01-01

    Sugar based surfactants conjugated with fatty acid chains are an emerging broad group of highly biocompatible and biodegradable compounds with established and potential future applications in the pharmaceutical, cosmetic and food industries. In this work, we investigated absorption enhancing and antimicrobial properties of disaccharide lactose, mono-esterified with unsaturated fatty acids through an enzymatic synthetic approach. After chemical and cytotoxicity characterizations, their permeab...

  15. Reduction of , -Unsaturated Ketones Using a Zn/NiCl System in ...

    African Journals Online (AJOL)

    NJD

    Reduction of , -Unsaturated Ketones Using a Zn/NiCl. 2. System in Aqueous Media in the Presence of Anionic and. Cationic Surfactants. Hocine Ilikti*, Tayeb Benabdallah, Kamel Bentayeb, Adil A. Othman and Zoubir Derriche. Organic Chemistry and Electrochemistry Laboratory, Department of Chemistry, Faculty of Science, ...

  16. Coordination of Conditional Poisson Samples

    Directory of Open Access Journals (Sweden)

    Grafström Anton

    2015-12-01

    Full Text Available Sample coordination seeks to maximize or to minimize the overlap of two or more samples. The former is known as positive coordination, and the latter as negative coordination. Positive coordination is mainly used for estimation purposes and to reduce data collection costs. Negative coordination is mainly performed to diminish the response burden of the sampled units. Poisson sampling design with permanent random numbers provides an optimum coordination degree of two or more samples. The size of a Poisson sample is, however, random. Conditional Poisson (CP sampling is a modification of the classical Poisson sampling that produces a fixed-size πps sample. We introduce two methods to coordinate Conditional Poisson samples over time or simultaneously. The first one uses permanent random numbers and the list-sequential implementation of CP sampling. The second method uses a CP sample in the first selection and provides an approximate one in the second selection because the prescribed inclusion probabilities are not respected exactly. The methods are evaluated using the size of the expected sample overlap, and are compared with their competitors using Monte Carlo simulation. The new methods provide a good coordination degree of two samples, close to the performance of Poisson sampling with permanent random numbers.

  17. Coordination in continuously repeated games

    NARCIS (Netherlands)

    Weeren, A.J.T.M.; Schumacher, J.M.; Engwerda, J.C.

    1995-01-01

    In this paper we propose a model to describe the effectiveness of coordination in a continuously repeated two-player game. We study how the choice of a decision rule by a coordinator affects the strategic behavior of the players, resulting in more or less cooperation. Our model requires the analysis

  18. Coordinated Transportation: Problems and Promise?

    Science.gov (United States)

    Fickes, Michael

    1998-01-01

    Examines the legal, administrative, and logistical barriers that have prevented the wide acceptance of coordinating community and school transportation services and why these barriers may be breaking down. Two examples of successful implementation of coordinated transportation are examined: employing a single system to serve all transportation…

  19. Bare coordination: the semantic shift

    NARCIS (Netherlands)

    de Swart, Henriette; Le Bruyn, Bert

    2014-01-01

    This paper develops an analysis of the syntax-semantics interface of two types of split coordination structures. In the first type, two bare singular count nouns appear as arguments in a coordinated structure, as in bride and groom were happy. We call this the N&N construction. In the second type,

  20. Gas breakthrough and emission through unsaturated compacted clay in landfill final cover

    International Nuclear Information System (INIS)

    Ng, C.W.W.; Chen, Z.K.; Coo, J.L.; Chen, R.; Zhou, C.

    2015-01-01

    Highlights: • Explore feasibility of unsaturated clay as a gas barrier in landfill cover. • Gas breakthrough pressure increases with clay thickness and degree of saturation. • Gas emission rate decreases with clay thickness and degree of saturation. • A 0.6 m-thick clay layer may be sufficient to meet gas emission rate limit. - Abstract: Determination of gas transport parameters in compacted clay plays a vital role for evaluating the effectiveness of soil barriers. The gas breakthrough pressure has been widely studied for saturated swelling clay buffer commonly used in high-level radioactive waste disposal facility where the generated gas pressure is very high (in the order of MPa). However, compacted clay in landfill cover is usually unsaturated and the generated landfill gas pressure is normally low (typically less than 10 kPa). Furthermore, effects of clay thickness and degree of saturation on gas breakthrough and emission rate in the context of unsaturated landfill cover has not been quantitatively investigated in previous studies. The feasibility of using unsaturated compacted clay as gas barrier in landfill covers is thus worthwhile to be explored over a wide range of landfill gas pressures under various degrees of saturation and clay thicknesses. In this study, to evaluate the effectiveness of unsaturated compacted clay to minimize gas emission, one-dimensional soil column tests were carried out on unsaturated compacted clay to determine gas breakthrough pressures at ultimate limit state (high pressure range) and gas emission rates at serviceability limit state (low pressure range). Various degrees of saturation and thicknesses of unsaturated clay sample were considered. Moreover, numerical simulations were carried out using a coupled gas–water flow finite element program (CODE-BRIGHT) to better understand the experimental results by extending the clay thickness and varying the degree of saturation to a broader range that is typical at different

  1. Gas breakthrough and emission through unsaturated compacted clay in landfill final cover

    Energy Technology Data Exchange (ETDEWEB)

    Ng, C.W.W.; Chen, Z.K.; Coo, J.L. [Department of Civil and Environmental Engineering, Hong Kong University of Science and Technology, Clear Water Bay, Kowloon (Hong Kong); Chen, R., E-mail: chenrui1005@hotmail.com [Shenzhen Key Laboratory of Urban and Civil Engineering for Disaster Prevention and Mitigation, Harbin Institute of Technology Shenzhen Graduate School, Shenzhen 518055 (China); Zhou, C. [Department of Civil and Environmental Engineering, Hong Kong University of Science and Technology, Clear Water Bay, Kowloon (Hong Kong)

    2015-10-15

    Highlights: • Explore feasibility of unsaturated clay as a gas barrier in landfill cover. • Gas breakthrough pressure increases with clay thickness and degree of saturation. • Gas emission rate decreases with clay thickness and degree of saturation. • A 0.6 m-thick clay layer may be sufficient to meet gas emission rate limit. - Abstract: Determination of gas transport parameters in compacted clay plays a vital role for evaluating the effectiveness of soil barriers. The gas breakthrough pressure has been widely studied for saturated swelling clay buffer commonly used in high-level radioactive waste disposal facility where the generated gas pressure is very high (in the order of MPa). However, compacted clay in landfill cover is usually unsaturated and the generated landfill gas pressure is normally low (typically less than 10 kPa). Furthermore, effects of clay thickness and degree of saturation on gas breakthrough and emission rate in the context of unsaturated landfill cover has not been quantitatively investigated in previous studies. The feasibility of using unsaturated compacted clay as gas barrier in landfill covers is thus worthwhile to be explored over a wide range of landfill gas pressures under various degrees of saturation and clay thicknesses. In this study, to evaluate the effectiveness of unsaturated compacted clay to minimize gas emission, one-dimensional soil column tests were carried out on unsaturated compacted clay to determine gas breakthrough pressures at ultimate limit state (high pressure range) and gas emission rates at serviceability limit state (low pressure range). Various degrees of saturation and thicknesses of unsaturated clay sample were considered. Moreover, numerical simulations were carried out using a coupled gas–water flow finite element program (CODE-BRIGHT) to better understand the experimental results by extending the clay thickness and varying the degree of saturation to a broader range that is typical at different

  2. Multipole structure and coordinate systems

    International Nuclear Information System (INIS)

    Burko, Lior M

    2007-01-01

    Multipole expansions depend on the coordinate system, so that coefficients of multipole moments can be set equal to zero by an appropriate choice of coordinates. Therefore, it is meaningless to say that a physical system has a nonvanishing quadrupole moment, say, without specifying which coordinate system is used. (Except if this moment is the lowest non-vanishing one.) This result is demonstrated for the case of two equal like electric charges. Specifically, an adapted coordinate system in which the potential is given by a monopole term only is explicitly found, the coefficients of all higher multipoles vanish identically. It is suggested that this result can be generalized to other potential problems, by making equal coordinate surfaces adapt to the potential problem's equipotential surfaces

  3. Biodegradation of vapor-phase toluene in unsaturated porous media: Column experiments

    International Nuclear Information System (INIS)

    Khan, Ali M.; Wick, Lukas Y.; Harms, Hauke; Thullner, Martin

    2016-01-01

    Biodegradation of organic chemicals in the vapor phase of soils and vertical flow filters has gained attention as promising approach to clean up volatile organic compounds (VOC). The drivers of VOC biodegradation in unsaturated systems however still remain poorly understood. Here, we analyzed the processes controlling aerobic VOC biodegradation in a laboratory setup mimicking the unsaturated zone above a shallow aquifer. The setup allowed for diffusive vapor-phase transport and biodegradation of three VOC: non-deuterated and deuterated toluene as two compounds of highly differing biodegradability but (nearly) identical physical and chemical properties, and MTBE as (at the applied experimental conditions) non-biodegradable tracer and internal control. Our results showed for toluene an effective microbial degradation within centimeter VOC transport distances despite high gas-phase diffusivity. Degradation rates were controlled by the reactivity of the compounds while oxic conditions were found everywhere in the system. This confirms hypotheses that vadose zone biodegradation rates can be extremely high and are able to prevent the outgassing of VOC to the atmosphere within a centimeter range if compound properties and site conditions allow for sufficiently high degradation rates. - Highlights: • The column setup allows resolving vapor-phase VOC concentration gradients at cm scale resolution. • Vapor-phase and liquid-phase concentrations are measured simultaneously. • Isotopically labelled VOC was used as reference species of low biodegradability. • Biodegradation rates in the unsaturated zone can be very high and act at a cm scale. • Unsaturated material can be an effective bio-barrier avoiding biodegradable VOC emissions. - Microbial degradation activity can be sufficient to remove VOC from unsaturated porous media after a few centimeter of vapor-phase diffusive transport and mayeffectively avoid atmospheric emissions.

  4. Consequences of varied soil hydraulic and meteorological complexity on unsaturated zone time lag estimates.

    Science.gov (United States)

    Vero, S E; Ibrahim, T G; Creamer, R E; Grant, J; Healy, M G; Henry, T; Kramers, G; Richards, K G; Fenton, O

    2014-12-01

    The true efficacy of a programme of agricultural mitigation measures within a catchment to improve water quality can be determined only after a certain hydrologic time lag period (subsequent to implementation) has elapsed. As the biophysical response to policy is not synchronous, accurate estimates of total time lag (unsaturated and saturated) become critical to manage the expectations of policy makers. The estimation of the vertical unsaturated zone component of time lag is vital as it indicates early trends (initial breakthrough), bulk (centre of mass) and total (Exit) travel times. Typically, estimation of time lag through the unsaturated zone is poor, due to the lack of site specific soil physical data, or by assuming saturated conditions. Numerical models (e.g. Hydrus 1D) enable estimates of time lag with varied levels of input data. The current study examines the consequences of varied soil hydraulic and meteorological complexity on unsaturated zone time lag estimates using simulated and actual soil profiles. Results indicated that: greater temporal resolution (from daily to hourly) of meteorological data was more critical as the saturated hydraulic conductivity of the soil decreased; high clay content soils failed to converge reflecting prevalence of lateral component as a contaminant pathway; elucidation of soil hydraulic properties was influenced by the complexity of soil physical data employed (textural menu, ROSETTA, full and partial soil water characteristic curves), which consequently affected time lag ranges; as the importance of the unsaturated zone increases with respect to total travel times the requirements for high complexity/resolution input data become greater. The methodology presented herein demonstrates that decisions made regarding input data and landscape position will have consequences for the estimated range of vertical travel times. Insufficiencies or inaccuracies regarding such input data can therefore mislead policy makers regarding

  5. Geologic character of tuffs in the unsaturated zone at Yucca Mountain, southern Nevada

    International Nuclear Information System (INIS)

    Scott, R.B.; Spengler, R.W.; Diehl, S.; Lappin, A.R.; Chornack, M.P.

    1982-01-01

    At Yucca Mountain, a potential site for a high-level nuclear waste repository on the Nevada Test Site in southern Nevada, evaluation of the geologic setting and rock physical properties, along with previous regional hydrologic studies, has provided background that can be used for construction of a preliminary conceptual hydrologic model of the unsaturated zone. The 500-m-thick unsaturated portion of Yucca Mountain consists of alternating layers of two contrasting types of tuff. One type consists of highly fractured, densely welded, relatively nonporous but highly transmissive ash-flow tuffs. The other type consists of relatively unfractured, nonwelded, highly porous but relatively nontransmissive, argillic and zeolitic bedded tuffs and ash-flow tuffs. The contrast between these two sets of distinctive physical properties results in a stratified sequence best described as ''physical-property stratigraphy'' as opposed to traditional petrologic stratigraphy of volcanic rocks. The vast majority of recharge through the unsaturated zone is assumed to be vertical; the dominant migration may occur in fractures of densely welded tuffs and in the matrix of nonwelded tuff, but the mode of fluid flow in these unsaturated systems is undetermined. Limited lateral flow of recharge may occur at horizons where local perched water tables may exist above relatively nontransmissive zeolitized nonwelded tuffs. The pervasive north-northwest-striking fractures may control the direction of lateral flow of recharge, if any, in the unsaturated zone, and certainly that direction coincides closely with the observed southeasterly flow direction in the saturated zone under Yucca Mountain. Empirical evaluation of this conceptual hydrologic model has begun. 41 refs., 18 figs., 2 tabs

  6. Flow and transport in unsaturated fractured rock: Effects of multiscale heterogeneity of hydrogeologic properties

    International Nuclear Information System (INIS)

    Zhou, Quanlin; Liu, Hui-Hai; Bodvarsson, Gudmundur S.; Oldenburg, Curtis M.

    2002-01-01

    The heterogeneity of hydrogeologic properties at different scales may have different effects on flow and transport processes in a subsurface system. A model for the unsaturated zone of Yucca Mountain, Nevada, is developed to represent complex heterogeneity at two different scales: (1) layer scale corresponding to geologic layering and (2) local scale. The layer-scale hydrogeologic properties are obtained using inverse modeling, based on the available measurements collected from the Yucca Mountain site. Calibration results show a significant lateral and vertical variability in matrix and fracture properties. Hydrogeologic property distributions in a two-dimensional, vertical cross section of the site are generated by combining the average layer-scale matrix and fracture properties with local-scale perturbations generated using a stochastic simulation method. The unsaturated water flow and conservative (nonsorbing) tracer transport through the cross section are simulated for different sets of matrix and fracture property fields. Comparison of simulation results indicates that the local-scale heterogeneity of matrix and fracture properties has a considerable effect on unsaturated flow processes, leading to fast flow paths in fractures and the matrix. These paths shorten the travel time of a conservative tracer from the source (repository) horizon in the unsaturated zone to the water table for small fractions of total released tracer mass. As a result, the local-scale heterogeneity also has a noticeable effect on global tracer transport processes, characterized by an average breakthrough curve at the water table, especially at the early arrival time of tracer mass. However, the effect is not significant at the later time after 20 percent tracer mass reaches the water table. The simulation results also verify that matrix diffusion plays an important role in overall solute transport processes in the unsaturated zone at Yucca Mountain

  7. Moditored unsaturated soil transport processes as a support for large scale soil and water management

    Science.gov (United States)

    Vanclooster, Marnik

    2010-05-01

    The current societal demand for sustainable soil and water management is very large. The drivers of global and climate change exert many pressures on the soil and water ecosystems, endangering appropriate ecosystem functioning. The unsaturated soil transport processes play a key role in soil-water system functioning as it controls the fluxes of water and nutrients from the soil to plants (the pedo-biosphere link), the infiltration flux of precipitated water to groundwater and the evaporative flux, and hence the feed back from the soil to the climate system. Yet, unsaturated soil transport processes are difficult to quantify since they are affected by huge variability of the governing properties at different space-time scales and the intrinsic non-linearity of the transport processes. The incompatibility of the scales between the scale at which processes reasonably can be characterized, the scale at which the theoretical process correctly can be described and the scale at which the soil and water system need to be managed, calls for further development of scaling procedures in unsaturated zone science. It also calls for a better integration of theoretical and modelling approaches to elucidate transport processes at the appropriate scales, compatible with the sustainable soil and water management objective. Moditoring science, i.e the interdisciplinary research domain where modelling and monitoring science are linked, is currently evolving significantly in the unsaturated zone hydrology area. In this presentation, a review of current moditoring strategies/techniques will be given and illustrated for solving large scale soil and water management problems. This will also allow identifying research needs in the interdisciplinary domain of modelling and monitoring and to improve the integration of unsaturated zone science in solving soil and water management issues. A focus will be given on examples of large scale soil and water management problems in Europe.

  8. Conceptual hydrologic model of flow in the unsaturated zone, Yucca Mountain, Nevada

    International Nuclear Information System (INIS)

    Montazer, P.; Wilson, W.E.

    1984-01-01

    The purpose of this report is to propose a conceptual hydrologic model that reasonably describes the flow of fluids through the unsaturated zone at Yucca Mountain, for use as a basis for preliminary site-performance assessment and as a guide to further investigations. Scott and others (1983) presented an initial conceptual hydrogeologic model for the unsaturated zone at Yucca Mountain, based on detailed geologic, but very limited hydrologic, information. In this report, some of their concepts are examined and either supported or modified, and new concepts are developed. The model describes the manner in which flow probably occurs at Yucca Mountain and is based on: (1) current understanding of the hydrogeologic framework; (2) application of the principles of unsaturated flow; and (3) interpretation of some preliminary data from ongoing field and laboratory investigations. Included are extensive geologic information but relatively few hydrologic data that currently exist from the unsaturated zone in the Yucca Mountain area. Many uncertainties remain to be resolved concerning hydrologic conditions and processes. As a result, most of the concepts presented are intentionally descriptive and conjectural, with little quantitative basis provided. However, for the sake of directness and simplicity of expression, the model is presented as if it were a true expression of the facts. The authors recognize, and the reader should be aware, that the proposed model probably is not the only reasonable description that could be made at this point, and it certainly is subject to revision and quantification as more data become available. Although various alternative models probably could be developed, the one described in this report seems to fit current understanding of the unsaturated flow through a section of layered, fractured-rock formations with contrasting hydrologic properties, such as occurs at Yucca Mountain. 41 refs., 14 figs., 1 tab

  9. Geologic character of tuffs in the unsaturated zone at Yucca Mountain, southern Nevada

    Energy Technology Data Exchange (ETDEWEB)

    Scott, R.B.; Spengler, R.W.; Diehl, S.; Lappin, A.R.; Chornack, M.P.

    1982-12-31

    At Yucca Mountain, a potential site for a high-level nuclear waste repository on the Nevada Test Site in southern Nevada, evaluation of the geologic setting and rock physical properties, along with previous regional hydrologic studies, has provided background that can be used for construction of a preliminary conceptual hydrologic model of the unsaturated zone. The 500-m-thick unsaturated portion of Yucca Mountain consists of alternating layers of two contrasting types of tuff. One type consists of highly fractured, densely welded, relatively nonporous but highly transmissive ash-flow tuffs. The other type consists of relatively unfractured, nonwelded, highly porous but relatively nontransmissive, argillic and zeolitic bedded tuffs and ash-flow tuffs. The contrast between these two sets of distinctive physical properties results in a stratified sequence best described as "physical-property stratigraphy" as opposed to traditional petrologic stratigraphy of volcanic rocks. The vast majority of recharge through the unsaturated zone is assumed to be vertical; the dominant migration may occur in fractures of densely welded tuffs and in the matrix of nonwelded tuff, but the mode of fluid flow in these unsaturated systems is undetermined. Limited lateral flow of recharge may occur at horizons where local perched water tables may exist above relatively nontransmissive zeolitized nonwelded tuffs. The pervasive north-northwest-striking fractures may control the direction of lateral flow of recharge, if any, in the unsaturated zone, and certainly that direction coincides closely with the observed southeasterly flow direction in the saturated zone under Yucca Mountain. Empirical evaluation of this conceptual hydrologic model has begun. 41 refs., 18 figs., 2 tabs.

  10. Could the increased structural versatility imposed by non-halogen ligands bring something new for polynuclear superhalogens? A case study on binuclear [Mg2L5]- (L = -OH, -OOH and -OF) anions.

    Science.gov (United States)

    Zhao, Ru-Fang; Yu, Le; Zhou, Fu-Qiang; Li, Jin-Feng; Yin, Bing

    2017-10-11

    A combined ab initio and DFT study is performed in this work to explore the superhalogen properties of polynuclear structures based on the ligands of -OH, -OOH and -OF. According to high-level CCSD(T) results, all the structures here are superhalogens whose properties are superior to the corresponding mononuclear ones. Although inferior to similar structures based on F ligands, some of the superhalogens here are capable of transcending the traditional ones based on Cl atoms. Therefore the superhalogen properties of the anions here are still promising and they have an important advantage of high safety, which is crucial for practical applications. An increased degree of structural versatility is imposed by these non-halogen ligands because of the various ways in which they connect the central atoms and their multiple orientations. It is important that this increased versatility will bring new factors, e.g., the larger spatial extent of the whole cluster and the existence of intra-molecular hydrogen bonds, which should favour high VDE values. These factors are not available in traditional halogen-based systems and they may play an important role in the future search for novel superhalogens. (HF + MP2)/2, ωB97XD as well as M06-2X are capable of providing accurate VDE values, close to the CCSD(T) results, and their absolute errors are even lower than that of the OVGF. Due to the good balance between the accuracy and efficiency, these methods could provide reliable predictions on large systems which cannot be treated with CCSD(T) or even with the OVGF. Balanced distribution of the extra electron, between the terminal and bridging ligands, is also shown to be favourable to realize a high VDE value.

  11. Keep Meaning in Conversational Coordination

    Directory of Open Access Journals (Sweden)

    Elena Clare Cuffari

    2014-12-01

    Full Text Available Coordination is a widely employed term across recent quantitative and qualitative approaches to intersubjectivity, particularly approaches that give embodiment and enaction central explanatory roles. With a focus on linguistic and bodily coordination in conversational contexts, I review the operational meaning of coordination in recent empirical research and related theorizing of embodied intersubjectivity. This discussion articulates what must be involved in treating linguistic meaning as dynamic processes of coordination. The coordination approach presents languaging as a set of dynamic self-organizing processes and actions on multiple timescales and across multiple modalities that come about and work in certain domains (those jointly constructed in social, interactive, high-order sense-making. These processes go beyond meaning at the level that is available to first-person experience. I take one crucial consequence of this to be the ubiquitously moral nature of languaging with others. Languaging coordinates experience, among other levels of behavior and event. Ethical effort is called for by the automatic autonomy-influencing forces of languaging as coordination.

  12. Coordinating distributed work : Exploring situated coordination with gaming-simulation

    NARCIS (Netherlands)

    van Laere, J.

    2003-01-01

    Organizational work has become more and more distributed nowadays. Information and communication technologies (ICT) provide opportunities to improve coordination of distributed work, but in practice many organizations struggle with integrating new organizational structures, new work practices and

  13. Thermal history of the unsaturated zone at Yucca Mountain, Nevada, USA

    International Nuclear Information System (INIS)

    Whelan, Joseph F.; Neymark, Leonid A.; Moscati, Richard J.; Marshall, Brian D.; Roedder, Edwin

    2008-01-01

    Secondary calcite, silica and minor amounts of fluorite deposited in fractures and cavities record the chemistry, temperatures, and timing of past fluid movement in the unsaturated zone at Yucca Mountain, Nevada, the proposed site of a high-level radioactive waste repository. The distribution and geochemistry of these deposits are consistent with low-temperature precipitation from meteoric waters that infiltrated at the surface and percolated down through the unsaturated zone. However, the discovery of fluid inclusions in calcite with homogenization temperatures (T h ) up to ∼80 deg. C was construed by some scientists as strong evidence for hydrothermal deposition. This paper reports the results of investigations to test the hypothesis of hydrothermal deposition and to determine the temperature and timing of secondary mineral deposition. Mineral precipitation temperatures in the unsaturated zone are estimated from calcite- and fluorite-hosted fluid inclusions and calcite δ 18 O values, and depositional timing is constrained by the 207 Pb/ 235 U ages of chalcedony or opal in the deposits. Fluid inclusion T h from 50 samples of calcite and four samples of fluorite range from ∼35 to ∼90 deg. C. Calcite δ 18 O values range from ∼0 to ∼22 per mille (SMOW) but most fall between 12 and 20 per mille . The highest T h and the lowest δ 18 O values are found in the older calcite. Calcite T h and δ 18 O values indicate that most calcite precipitated from water with δ 18 O values between -13 and -7 per mille , similar to modern meteoric waters. Twenty-two 207 Pb/ 235 U ages of chalcedony or opal that generally postdate elevated depositional temperatures range from ∼9.5 to 1.9 Ma. New and published 207 Pb/ 235 U and 230 Th/Uages coupled with the T h values and estimates of temperature from calcite δ 18 O values indicate that maximum unsaturated zone temperatures probably predate ∼10 Ma and that the unsaturated zone had cooled to near-present-day temperatures

  14. Thermal history of the unsaturated zone at Yucca Mountain, Nevada, USA

    Energy Technology Data Exchange (ETDEWEB)

    Whelan, Joseph F. [U.S. Geological Survey, Box 25046, M.S. 963, Denver Federal Center, Denver, CO 80225 (United States)], E-mail: jfwhelan@usgs.gov; Neymark, Leonid A.; Moscati, Richard J.; Marshall, Brian D. [U.S. Geological Survey, Box 25046, M.S. 963, Denver Federal Center, Denver, CO 80225 (United States); Roedder, Edwin [Department of Earth and Planetary Science, Harvard University, Cambridge, MA 02138 (United States)

    2008-05-15

    Secondary calcite, silica and minor amounts of fluorite deposited in fractures and cavities record the chemistry, temperatures, and timing of past fluid movement in the unsaturated zone at Yucca Mountain, Nevada, the proposed site of a high-level radioactive waste repository. The distribution and geochemistry of these deposits are consistent with low-temperature precipitation from meteoric waters that infiltrated at the surface and percolated down through the unsaturated zone. However, the discovery of fluid inclusions in calcite with homogenization temperatures (T{sub h}) up to {approx}80 deg. C was construed by some scientists as strong evidence for hydrothermal deposition. This paper reports the results of investigations to test the hypothesis of hydrothermal deposition and to determine the temperature and timing of secondary mineral deposition. Mineral precipitation temperatures in the unsaturated zone are estimated from calcite- and fluorite-hosted fluid inclusions and calcite {delta}{sup 18}O values, and depositional timing is constrained by the {sup 207}Pb/{sup 235}U ages of chalcedony or opal in the deposits. Fluid inclusion T{sub h} from 50 samples of calcite and four samples of fluorite range from {approx}35 to {approx}90 deg. C. Calcite {delta}{sup 18}O values range from {approx}0 to {approx}22 per mille (SMOW) but most fall between 12 and 20 per mille . The highest T{sub h} and the lowest {delta}{sup 18}O values are found in the older calcite. Calcite T{sub h} and {delta}{sup 18}O values indicate that most calcite precipitated from water with {delta}{sup 18}O values between -13 and -7 per mille , similar to modern meteoric waters. Twenty-two {sup 207}Pb/{sup 235}U ages of chalcedony or opal that generally postdate elevated depositional temperatures range from {approx}9.5 to 1.9 Ma. New and published {sup 207}Pb/{sup 235}U and {sup 230}Th/Uages coupled with the T{sub h} values and estimates of temperature from calcite {delta}{sup 18}O values indicate

  15. The coordinate transforming in geography information system

    International Nuclear Information System (INIS)

    Zhao Xiang; Chen Gang

    2003-01-01

    The coordinate transforming of geography information system includes two kinds of transforming, map projection and coordinate-transforming. This paper proposed a arithmetic of coordinate-transforming, it implement the transforming between the longitude-latitude coordinate and the screen coordinate and apply it in the GIS. The preferable effect was made. (authors)

  16. Aquifer Recharge Estimation In Unsaturated Porous Rock Using Darcian And Geophysical Methods.

    Science.gov (United States)

    Nimmo, J. R.; De Carlo, L.; Masciale, R.; Turturro, A. C.; Perkins, K. S.; Caputo, M. C.

    2016-12-01

    Within the unsaturated zone a constant downward gravity-driven flux of water commonly exists at depths ranging from a few meters to tens of meters depending on climate, medium, and vegetation. In this case a steady-state application of Darcy's law can provide recharge rate estimates.We have applied an integrated approach that combines field geophysical measurements with laboratory hydraulic property measurements on core samples to produce accurate estimates of steady-state aquifer recharge, or, in cases where episodic recharge also occurs, the steady component of recharge. The method requires (1) measurement of the water content existing in the deep unsaturated zone at the location of a core sample retrieved for lab measurements, and (2) measurement of the core sample's unsaturated hydraulic conductivity over a range of water content that includes the value measured in situ. Both types of measurements must be done with high accuracy. Darcy's law applied with the measured unsaturated hydraulic conductivity and gravitational driving force provides recharge estimates.Aquifer recharge was estimated using Darcian and geophysical methods at a deep porous rock (calcarenite) experimental site in Canosa, southern Italy. Electrical Resistivity Tomography (ERT) and Vertical Electrical Sounding (VES) profiles were collected from the land surface to water table to provide data for Darcian recharge estimation. Volumetric water content was estimated from resistivity profiles using a laboratory-derived calibration function based on Archie's law for rock samples from the experimental site, where electrical conductivity of the rock was related to the porosity and water saturation. Multiple-depth core samples were evaluated using the Quasi-Steady Centrifuge (QSC) method to obtain hydraulic conductivity (K), matric potential (ψ), and water content (θ) estimates within this profile. Laboratory-determined unsaturated hydraulic conductivity ranged from 3.90 x 10-9 to 1.02 x 10-5 m

  17. Thiol-functionalization of metal-organic framework by a facile coordination-based postsynthetic strategy and enhanced removal of Hg2+ from water.

    Science.gov (United States)

    Ke, Fei; Qiu, Ling-Guang; Yuan, Yu-Peng; Peng, Fu-Min; Jiang, Xia; Xie, An-Jian; Shen, Yu-Hua; Zhu, Jun-Fa

    2011-11-30

    The presence of coordinatively unsaturated metal centers in metal-organic frameworks (MOFs) provides an accessible way to selectively functionalize MOFs through coordination bonds. In this work, we describe thiol-functionalization of MOFs by choosing a well known three-dimensional (3D) Cu-based MOF, i.e. [Cu(3)(BTC)(2)(H(2)O)(3)](n) (HKUST-1, BTC=benzene-1,3,5-tricarboxylate), by a facile coordination-based postsynthetic strategy, and demonstrate their application for removal of heavy metal ion from water. A series of [Cu(3)(BTC)(2)](n) samples stoichiometrically decorated with thiol groups has been prepared through coordination bonding of coordinatively unsaturated metal centers in HKUST-1 with -SH group in dithioglycol. The obtained thiol-functionalized samples were characterized by powder X-ray diffraction, scanning electron microscope, energy dispersive X-ray spectroscopy, infrared spectroscopy, and N(2) sorption-desorption isothermal. Significantly, the thiol-functionalized [Cu(3)(BTC)(2)](n) exhibited remarkably high adsorption affinity (K(d)=4.73 × 10(5)mL g(-1)) and high adsorption capacity (714.29 mg g(-1)) for Hg(2+) adsorption from water, while the unfunctionalized HKUST-1 showed no adsorption of Hg(2+) under the same condition. Copyright © 2011 Elsevier B.V. All rights reserved.

  18. Who matters in coordination problems?

    Czech Academy of Sciences Publication Activity Database

    Sákovics, J.; Steiner, Jakub

    2012-01-01

    Roč. 102, č. 7 (2012), s. 3439-3461 ISSN 0002-8282 Institutional support: RVO:67985998 Keywords : coordination problem s * heterogeneous agents Subject RIV: AH - Economics Impact factor: 2.792, year: 2012

  19. Coordination Processes in International Organisations

    DEFF Research Database (Denmark)

    Nedergaard, Peter

    2008-01-01

    The EU is not a member of the International Labour Organisation (ILO), but relatively elaborate EU coordination takes place anyway. This paper addresses two research questions: 1) How is it possible to evaluate the coordination of the EU in its specific observable configuration in the ILO?, and 2......-à-vis their principals, the Member States. The Commission is the leading agent in the phase leading up to the Conference; the Presidency then takes over. On the one hand, due to the Treaty obligations and their interpretations by the Court of Justice, both the Presidency and the Commission are kept within tight limits...... by the principals. On the other hand, both before and during the Conference, the Member States accept the so-called discursive coordination of the Commission, which seems to be of great (but often neglected) importance. Owing to the organisational set-up in which coordination takes place, the EU is able...

  20. Hall effect in noncommutative coordinates

    International Nuclear Information System (INIS)

    Dayi, Oemer F.; Jellal, Ahmed

    2002-01-01

    We consider electrons in uniform external magnetic and electric fields which move on a plane whose coordinates are noncommuting. Spectrum and eigenfunctions of the related Hamiltonian are obtained. We derive the electric current whose expectation value gives the Hall effect in terms of an effective magnetic field. We present a receipt to find the action which can be utilized in path integrals for noncommuting coordinates. In terms of this action we calculate the related Aharonov-Bohm phase and show that it also yields the same effective magnetic field. When magnetic field is strong enough this phase becomes independent of magnetic field. Measurement of it may give some hints on spatial noncommutativity. The noncommutativity parameter θ can be tuned such that electrons moving in noncommutative coordinates are interpreted as either leading to the fractional quantum Hall effect or composite fermions in the usual coordinates

  1. Future in actinoids coordination chemistry

    International Nuclear Information System (INIS)

    Kitazawa, Takafumi

    2006-01-01

    Actinoids coordination chemistry is concerned with spent nuclear fuel reprocessing, specifically with solid-state chemistry of nuclear fuels, separation process with radioactive substances, and geological disposal of high-level radioactive substances. In the 21st century, accumulation of minor actinides, Np, Am, Cm, and others will be realized according with the present program of nuclear energy development. The present article briefly introduces general properties of actinide elements, followed by their coordination chemistry compared with rare earths coordination chemistry. Special facility needed to treat actinoids as well as their chemistry is briefly explained, together with the specific experimental apparatus such as X-ray Absorption Fine Structure (XAFS) and time-resolved laser-induced fluorescence spectrometry (TRLFS) with synchrotron radiation facilities. The effect of coordination with actinoids in the environment chemistry is important in underground disposal of high-level radioactive wastes. For theoretical analysis of the results with actinoids chemistry, relativistic calculation is needed. (S. Ohno)

  2. Coordination theory and collaboration technology

    CERN Document Server

    Olson, Gary M; Smith, John B

    2001-01-01

    The National Science Foundation funded the first Coordination Theory and Collaboration Technology initiative to look at systems that support collaborations in business and elsewhere. This book explores the global revolution in human interconnectedness. It will discuss the various collaborative workgroups and their use in technology. The initiative focuses on processes of coordination and cooperation among autonomous units in human systems, in computer and communication systems, and in hybrid organizations of both systems. This initiative is motivated by three scientific issues which have been

  3. Path integrals in curvilinear coordinates

    International Nuclear Information System (INIS)

    Prokhorov, L.V.

    1984-01-01

    Integration limits are studied for presenting the path integral curvilinear coordinates. For spherical (and topoloqically equivalent) coordinates it is shown that in formulas involving classical action in the exponent integration over all variables should be carried out within infinite limits. Another peculiarity is associated with appearance of the operator q which provides a complete definition of the wave functions out of the physical region. arguments are given upporting the validity of the cited statament in the general case

  4. Three coordination compounds based on benzene tetracarboxylate ...

    Indian Academy of Sciences (India)

    YUNLONG WU

    nescence, considerable attention has been focused on the construction of coordination .... measurements were performed on ground powder samples at .... Figure 2. (a) Coordination environment of Co1 ion in compound 2. (b) Coordination.

  5. Managing interteam coordination within and between organizations

    NARCIS (Netherlands)

    de Vries, Thomas Arend

    2015-01-01

    To accomplish complex tasks and effectively respond to environmental contingencies, teams must coordinate task-related issues with other teams (i.e., interteam coordination). Regrettably, interteam coordination is often complicated by misunderstandings that can arise from differences in teams’

  6. Motor coordination uses external spatial coordinates independent of developmental vision.

    Science.gov (United States)

    Heed, Tobias; Röder, Brigitte

    2014-07-01

    The constraints that guide bimanual movement coordination are informative about the processing principles underlying movement planning in humans. For example, symmetry relative to the body midline benefits finger and hand movements independent of hand posture. This symmetry constraint has been interpreted to indicate that movement coordination is guided by a perceptual code. Although it has been assumed implicitly that the perceptual system at the heart of this constraint is vision, this relationship has not been tested. Here, congenitally blind and sighted participants made symmetrical and non-symmetrical (that is, parallel) bimanual tapping and finger oscillation movements. For both groups, symmetrical movements were executed more correctly than parallel movements, independent of anatomical constraints like finger homology and hand posture. For the blind, the reliance on external spatial factors in movement coordination stands in stark contrast to their use of an anatomical reference frame in perceptual processing. Thus, the externally coded symmetry constraint evident in bimanual coordination can develop in the absence of the visual system, suggesting that the visual system is not critical for the establishment of an external-spatial reference frame in movement coordination. Copyright © 2014 Elsevier B.V. All rights reserved.

  7. Design of dry barriers for containment of contaminants in unsaturated soils

    International Nuclear Information System (INIS)

    Morris, C.E.; Thomson, B.M.; Stormont, J.C.

    1997-01-01

    A dry barrier is a region of very dry conditions in unsaturated soil that prevents vertical migration of water created by circulating dry air through the formation. Dry soil creates a barrier to vertical water movement by decreasing the soil's hydraulic conductivity, a concept also used in capillary barriers. A dry barrier may be a viable method for providing containment of a contaminant plume in a setting with a thick unsaturated zone and dry climate. The principal factors which determine the feasibility of a dry barrier include: (1) an and environment, (2) thick vadose zone, and (3) the ability to circulate air through the vadose zone. This study investigated the technical and economic considerations associated with creating a dry barrier to provide containment of a hypothetical 1 ha aqueous contaminant plume. The concept appears to be competitive with other interim containment methods such as ground freezing

  8. Generation of dense plume fingers in saturated-unsaturated homogeneous porous media

    Science.gov (United States)

    Cremer, Clemens J. M.; Graf, Thomas

    2015-02-01

    Flow under variable-density conditions is widespread, occurring in geothermal reservoirs, at waste disposal sites or due to saltwater intrusion. The migration of dense plumes typically results in the formation of vertical plume fingers which are known to be triggered by material heterogeneity or by variations in source concentration that causes the density variation. Using a numerical groundwater model, six perturbation methods are tested under saturated and unsaturated flow conditions to mimic heterogeneity and concentration variations on the pore scale in order to realistically generate dense fingers. A laboratory-scale sand tank experiment is numerically simulated, and the perturbation methods are evaluated by comparing plume fingers obtained from the laboratory experiment with numerically simulated fingers. Dense plume fingering for saturated flow can best be reproduced with a spatially random, time-constant perturbation of the solute source. For unsaturated flow, a spatially and temporally random noise of solute concentration or a random conductivity field adequately simulate plume fingering.

  9. A semi-analytical solution for slug tests in an unconfined aquifer considering unsaturated flow

    Science.gov (United States)

    Sun, Hongbing

    2016-01-01

    A semi-analytical solution considering the vertical unsaturated flow is developed for groundwater flow in response to a slug test in an unconfined aquifer in Laplace space. The new solution incorporates the effects of partial penetrating, anisotropy, vertical unsaturated flow, and a moving water table boundary. Compared to the Kansas Geological Survey (KGS) model, the new solution can significantly improve the fittings of the modeled to the measured hydraulic heads at the late stage of slug tests in an unconfined aquifer, particularly when the slug well has a partially submerged screen and moisture drainage above the water table is significant. The radial hydraulic conductivities estimated with the new solution are comparable to those from the KGS, Bouwer and Rice, and Hvorslev methods. In addition, the new solution also can be used to examine the vertical conductivity, specific storage, specific yield, and the moisture retention parameters in an unconfined aquifer based on slug test data.

  10. Solution of AntiSeepage for Mengxi River Based on Numerical Simulation of Unsaturated Seepage

    Science.gov (United States)

    Ji, Youjun; Zhang, Linzhi; Yue, Jiannan

    2014-01-01

    Lessening the leakage of surface water can reduce the waste of water resources and ground water pollution. To solve the problem that Mengxi River could not store water enduringly, geology investigation, theoretical analysis, experiment research, and numerical simulation analysis were carried out. Firstly, the seepage mathematical model was established based on unsaturated seepage theory; secondly, the experimental equipment for testing hydraulic conductivity of unsaturated soil was developed to obtain the curve of two-phase flow. The numerical simulation of leakage in natural conditions proves the previous inference and leakage mechanism of river. At last, the seepage control capacities of different impervious materials were compared by numerical simulations. According to the engineering actuality, the impervious material was selected. The impervious measure in this paper has been proved to be effectible by hydrogeological research today. PMID:24707199

  11. Preparation of Acetylated Guar Gum – Unsaturated Polyester Composites & Effect of Water on Their Properties

    Directory of Open Access Journals (Sweden)

    David D’Melo

    2012-07-01

    Full Text Available Guar gum has seen extensive use in blends, however, its application as a filler in thermoset composites has as yet not been investigated. The effect of the addition of guar gum and its acetyl derivatives on the kinetics of water diffusion in unsaturated polyester composites was studied. The effect of water on the mechanical properties of the composites was studied with respect to the nature of filler, filler concentration and time of immersion. All the mechanical properties were observed to decrease on exposure to water. Further, it was observed that acetylated guar gum, with a degree of substitution of 0.21, showed the best mechanical properties, surpassing the other filled composites and that of the pure unsaturated polyester. Thus, acetylated guar gum showed promise as eco-friendly filler in composite formulation.

  12. Relating shear strength of unsaturated soils with capillary water retention curve

    Directory of Open Access Journals (Sweden)

    Zhou Annan

    2016-01-01

    Full Text Available This paper proposes a new water retention model for unsaturated soils, which takes into account capillary condensation of adsorbed water. In the proposed water retention model, the degree of saturation of a soil is separated into that based on capillary water and that based on adsorbed water. Through the analysis of a partially saturated two-cylinder system, a new shear strength criterion for unsaturated soils is proposed, in which only the degree of saturation based on capillary water contributes to the variation of shear strength with suction. The proposed shear strength criterion is justified against thermodynamic principles. The proposed strength criterion is compared against existing criteria in the literature, which shows that it provides a much improved prediction of the experimental data, for a wide range of suction values.

  13. The resistance of titanium to pitting, microbially induced corrosion and corrosion in unsaturated conditions

    Energy Technology Data Exchange (ETDEWEB)

    Shoesmith, D W; Ikeda, B M

    1997-04-01

    Titanium and its alloys (Grades-2, -12, -16) are candidate materials for Canadian nuclear waste containers on the basis of their apparent immunity to many localized corrosion processes. This simplifies markedly the effort needed to justify the use of these materials and to develop models to predict the lifetimes of containers. Here we review the pitting, microbially influenced corrosion (MIC), and corrosion under unsaturated conditions, of titanium. For all these processes, the properties of the passive oxide film are paramount in determining the metal`s resistance to corrosion. A review of these oxide properties is included and the conditions to which the metal must be exposed if localized corrosion is to occur are defined. Since these conditions cannot be achieved under Canadian waste vault conditions, it can be concluded that pitting and MIC will not occur and that corrosion under unsaturated conditions is extremely unlikely. (author) 114 refs., 1 tab., 18 figs.

  14. Freezing process in unsaturated packed beds; Fuhowa ryushi sonai ni okeru suibun toketsu

    Energy Technology Data Exchange (ETDEWEB)

    Akahori, M; Aoki, K; Hattori, M [Nagaoka University of Technology, Niigata (Japan); Tani, T [Oji Paper Co. Ltd., Tokyo (Japan)

    1998-04-25

    The freezing process in unsaturated packed beds has been investigated experimentally and theoretically. Water transport to the frozen front plays an important part on freezing. The rate of the absorption of water into frozen layer depended on the freezing heat flux and the water saturation at the freezing front. As a result, ice content in the frozen layer was related to the rate of the absorption of water and the freezing heat flux. A one-dimensional freezing model in unsaturated packed beds has been presented, accounting for the water transport. The predicted water saturation and temperature distributions in the body and the thickness of frozen layer were compared with the experimental results using a porous bed composed of glass beads. 12 refs., 10 figs., 1 tab.

  15. Solution of AntiSeepage for Mengxi River Based on Numerical Simulation of Unsaturated Seepage

    Directory of Open Access Journals (Sweden)

    Youjun Ji

    2014-01-01

    Full Text Available Lessening the leakage of surface water can reduce the waste of water resources and ground water pollution. To solve the problem that Mengxi River could not store water enduringly, geology investigation, theoretical analysis, experiment research, and numerical simulation analysis were carried out. Firstly, the seepage mathematical model was established based on unsaturated seepage theory; secondly, the experimental equipment for testing hydraulic conductivity of unsaturated soil was developed to obtain the curve of two-phase flow. The numerical simulation of leakage in natural conditions proves the previous inference and leakage mechanism of river. At last, the seepage control capacities of different impervious materials were compared by numerical simulations. According to the engineering actuality, the impervious material was selected. The impervious measure in this paper has been proved to be effectible by hydrogeological research today.

  16. Novel α, β-Unsaturated Sophoridinic Derivatives: Design, Synthesis, Molecular Docking and Anti-Cancer Activities

    Directory of Open Access Journals (Sweden)

    Yiming Xu

    2017-11-01

    Full Text Available Using sophoridine 1 and chalcone 3 as the lead compounds, a series of novel α, β-unsaturated sophoridinic derivatives were designed, synthesized, and evaluated for their in vitro cytotoxicity. Structure-activity relationship (SAR analysis indicated that introduction of α, β-unsaturated ketone moiety and heterocyclic group might significantly enhance anticancer activity. Among the compounds, 2f and 2m exhibited potential effects against HepG-2 and CNE-2 human cancer cell lines. Furthermore, molecular docking studies were performed to understand possible docking sites of the molecules on the target proteins and the mode of binding. This work provides a theoretical basis for structural optimizations and exploring anticancer pathways of this kind of compound.

  17. The resistance of titanium to pitting, microbially induced corrosion and corrosion in unsaturated conditions

    International Nuclear Information System (INIS)

    Shoesmith, D.W.; Ikeda, B.M.

    1997-04-01

    Titanium and its alloys (Grades-2, -12, -16) are candidate materials for Canadian nuclear waste containers on the basis of their apparent immunity to many localized corrosion processes. This simplifies markedly the effort needed to justify the use of these materials and to develop models to predict the lifetimes of containers. Here we review the pitting, microbially influenced corrosion (MIC), and corrosion under unsaturated conditions, of titanium. For all these processes, the properties of the passive oxide film are paramount in determining the metal's resistance to corrosion. A review of these oxide properties is included and the conditions to which the metal must be exposed if localized corrosion is to occur are defined. Since these conditions cannot be achieved under Canadian waste vault conditions, it can be concluded that pitting and MIC will not occur and that corrosion under unsaturated conditions is extremely unlikely. (author)

  18. Approaches to large scale unsaturated flow in heterogeneous, stratified, and fractured geologic media

    International Nuclear Information System (INIS)

    Ababou, R.

    1991-08-01

    This report develops a broad review and assessment of quantitative modeling approaches and data requirements for large-scale subsurface flow in radioactive waste geologic repository. The data review includes discussions of controlled field experiments, existing contamination sites, and site-specific hydrogeologic conditions at Yucca Mountain. Local-scale constitutive models for the unsaturated hydrodynamic properties of geologic media are analyzed, with particular emphasis on the effect of structural characteristics of the medium. The report further reviews and analyzes large-scale hydrogeologic spatial variability from aquifer data, unsaturated soil data, and fracture network data gathered from the literature. Finally, various modeling strategies toward large-scale flow simulations are assessed, including direct high-resolution simulation, and coarse-scale simulation based on auxiliary hydrodynamic models such as single equivalent continuum and dual-porosity continuum. The roles of anisotropy, fracturing, and broad-band spatial variability are emphasized. 252 refs

  19. Role of the unsaturated zone in radioactive and hazardous waste disposal

    International Nuclear Information System (INIS)

    Mercer, J.W.; Marine, I.W.; Rao, P.S.C.

    1983-01-01

    The problems of hazardous and low-level radioactive waste disposal caused by the physical and chemical processes active in the unsaturated zone are explored in this book. The focus is on the use of laboratory analyses, field observations, and numerical and analytical calculations to create a clear picture of both problems and potential solutions. Topics include policy modeling, statistical techniques, liners, and field applications. Contents include: Modeling of Moisture Movement through Layered Trench Covers; Role of Partially Saturated Soil in Liner Design for Hazardous Waste Disposal Sites; Field Experiments to Determine Saturated Hydraulic Conductivity in the Vadose Zone; Role of Desaturation on Transport through Fractured Rock; Nuclear Waste Isolation in the Unsaturated Zone of Arid Regions

  20. The measurement of unsaturated hydraulic conductivity from one-step outflow method

    International Nuclear Information System (INIS)

    Lee, S. H.; Hwang, J. H.; Lee, J. M.; Kim, C. R.

    2003-01-01

    One of the most important parts in constructing radioactive waste repository may be its safety aspect. The fundamental function of the repository is to isolate completely and forever the radioactive wastes disposed of in it. However, since either normally or abnormally nuclides are to be released from the repository with a certain causes. The hydraulic conductivity is related to transportation of nuclide in soil. However, hydraulic characteristics research in unsaturated soil is not enough at present time. A fast and easy procedure for estimating unsaturated flow parameters is presented. The estimation is based on direct measurement of the retention characteristics combined with inverse estimation of the hydraulic conductivity characteristics from one-step outflow experiment

  1. Development of methods to evaluate uranium distribution coefficients in unsaturated media

    International Nuclear Information System (INIS)

    Sautman, M.T.; Simonson, S.A.

    1993-01-01

    To date, batch sorption and dynamic column experiments have been performed for many elements as part of site characterization programs. These experiments were often conducted with samples having relatively high liquid/solid ratios (in some cases the solid volume was much smaller than the solution volume). The development of methods for measuring sorption parameters at low liquid/solid ratios was undertaken to attempt to judge whether or not results of saturated experiments are valid for use in performance assessments of sites located in unsaturated rocks. The amount of hydrologic saturation can affect the ionic strength, pH, and redox potential which can in turn affect sorption. In addition, the presence of the gas phase may affect the amount of wetting occurring on the solid's surface. This paper describes experimental procedures which were developed to evaluate the sorption of uranium by silica sand at predetermined levels of unsaturation

  2. Simulation of unsaturated flow and nonreactive solute transport in a heterogeneous soil at the field scale

    International Nuclear Information System (INIS)

    Rockhold, M.L.

    1993-02-01

    A field-scale, unsaturated flow and solute transport experiment at the Las Cruces trench site in New Mexico was simulated as part of a ''blind'' modeling exercise to demonstrate the ability or inability of uncalibrated models to predict unsaturated flow and solute transport in spatially variable porous media. Simulations were conducted using a recently developed multiphase flow and transport simulator. Uniform and heterogeneous soil models were tested, and data from a previous experiment at the site were used with an inverse procedure to estimate water retention parameters. A spatial moment analysis was used to provide a quantitative basis for comparing the mean observed and simulated flow and transport behavior. The results of this study suggest that defensible predictions of waste migration and fate at low-level waste sites will ultimately require site-specific data for model calibration

  3. Particle tracking for unsaturated-zone groundwater travel time analysis at Yucca Mountain

    International Nuclear Information System (INIS)

    Arnold, B.W.; Skinner, L.H.; Zieman, N.B.

    1995-01-01

    A particle tracking code developed to link numerical modeling of groundwater flow in the unsaturated zone to the analysis of groundwater travel times was used to produce preliminary estimates of the distribution of groundwater-travel time from a potential repository at Yucca Mountain, Nevada to the water table. Compliance with 10CFR960 requires the demonstration that pre-waste-emplacement groundwater travel time from the disturbed zone to the accessible environment is expected to exceed 1,000 years along any path of likely and significant radionuclide travel. The use of multiple particles and multiple realizations of the geology and parameter distributions in the unsaturated zone allows a probabilistic analysis of groundwater travel times that may be applied for evaluating compliance

  4. Parametric analysis of a TOUGH2 model for the unsaturated zone at Yucca Mountain

    Energy Technology Data Exchange (ETDEWEB)

    Xiang, Y.; Mishra, S.; Dunlap, B. [CRWMS M& O/INTERA, Inc., Las Vegas, NV (United States)

    1995-03-01

    Yucca Mountain in Nevada is currently being investigated for suitability as a potential site for the disposal of high-level radioactive waste and spent nuclear fuel. As the most important natural barrier against radionuclide migration to the accessible environment, the unsaturated zone at Yucca mountain is a key constituent in assessing the ambient geohydrology. A three-dimensional site-scale TOUGH2 model of the unsaturated zone is currently under development by Lawrence Berkeley Laboratory (LBL) and the United States Geological Survey (USGS) consists of six hydrogeologic units - TCw (Tiva Canyon welded), PTn (Paintbrush nonwelded), TSw (Topopah Spring welded), TSv (Topopah Spring welded-vitrophyre), CHnz (Calico Hills nonwelded-vitric), and CHnz (Calico Hills nonwelded-zeolitic), which are further subdivided into seventeen layers to represent additional lithologic detail. Based on the work of Klavetter and Peters, the fractured units TCw and TSw are treated as equivalent continua with specified threshold saturation for triggering fracture flow.

  5. Soil water movement in the unsaturated zone of an inland arid region: Mulched drip irrigation experiment

    Science.gov (United States)

    Han, Dongmei; Zhou, Tiantian

    2018-04-01

    Agricultural irrigation with trans-basin water diversion can effectively relieve the water paucity in arid and semi-arid regions, however, this may be accompanied by eco-environmental problems (e.g., saline soils, rising groundwater levels, water quality problems). The mechanism of soil water movement under irrigation in the unsaturated zone of arid regions is a key scientific problem that should be solved in order to evaluate agricultural water management and further improve current irrigation practices. This study investigated the impact of drip irrigation on soil water movement in the unsaturated zone of a cotton field in an inland arid region (the Karamay Agricultural Development Area), northwest China. Combining in situ observational physical data with temporal variation in stable isotopic compositions of soil water, we described the soil water flow system and mechanism in severe (Plot 1) and mild (Plot 2) saline-alkali cotton fields. The infiltration depths are 0-150 cm for both plots. Drip irrigation scheduling makes no significant contribution to local groundwater recharge, however, groundwater can move into the unsaturated zone through capillary rise during cotton flowering and boll periods. Plot 2 is less prone to having secondary soil salinization than Plot 1 due to the existence of a middle layer (approximately 100 cm thick), which elongated the distance between the root zone and aquifer. Rise in the water table (approximately 60 cm for Plot 1 and 50 cm for Plot 2) could be caused by lateral groundwater flow instead of vertical infiltration. We estimated the soil water storage changes in the unsaturated zone and proposed a conceptual model for deciphering the movement process of soil water. This study provides a scientific basis for determining the rise of groundwater levels and potential development of saline soils and improving agricultural water management in arid regions.

  6. Chemical and Isotopes study of pollutants transport through unsaturated zone in Damascus oasis (Syria)

    International Nuclear Information System (INIS)

    Abou Zakhem, B.; Hafez, R.

    2011-08-01

    The primary objectives of this study were to determine the hydrochemical and isotopic characteristics of groundwater and to study vertical transport processes for trace elements through the unsaturated zone, from the surface water into the groundwater system. A third objective is to identifying the importance of the unsaturated zone in protecting groundwater from contamination. Distribution of trace elements, including Cu, Pb, Cr, Cd, Zn and As in the soil with depth were studied. Mineralogy was investigated using X-Ray diffraction techniques and granulometry in three drilled soil profile (KA, KB and KS) in Damascus Oasis, which indicated that the soil consists mainly of calcite, a mineral that has the ability to bind some of the trace elements. Measurement of nitrate concentrations in groundwater permitted an investigation of the urban, industrial and agricultural pollution in the Oasis, in particular, in the eastern part of Damascus city and in the north of Oasis where the irrigation by treated wastewater is applied. Depending on the chemical characteristics of the studied trace elements and soil conditions, these elements have high concentrations in the upper part of the soil (20-30 cm depth), due to absorption by clay minerals and organic matter. These high concentrations represent pollution by leather industries (tannery) in the area. The trace element concentrations decrease towards the east in parallel with river flow direction. The lower part of profiles show low trace element concentrations, below the international permitted limit. The low concentrations of trace elements in groundwater which are also below the international limit, indicates no pollution is presented. The isotopic composition of shallow groundwater indicates the underground recharge, originated from the Anti-Lebanon Mountain, is more significant than the direct recharge through unsaturated zone. It is concluded the unsaturated zone and the decrease of groundwater levels have played an

  7. Conceptual Model and Numerical Approaches for Unsaturated Zone Flow and Transport

    International Nuclear Information System (INIS)

    H.H. Liu

    2004-01-01

    The purpose of this model report is to document the conceptual and numerical models used for modeling unsaturated zone (UZ) fluid (water and air) flow and solute transport processes. This work was planned in ''Technical Work Plan for: Unsaturated Zone Flow Model and Analysis Report Integration'' (BSC 2004 [DIRS 169654], Sections 1.2.5, 2.1.1, 2.1.2 and 2.2.1). The conceptual and numerical modeling approaches described in this report are mainly used for models of UZ flow and transport in fractured, unsaturated rock under ambient conditions. Developments of these models are documented in the following model reports: (1) UZ Flow Model and Submodels; (2) Radionuclide Transport Models under Ambient Conditions. Conceptual models for flow and transport in unsaturated, fractured media are discussed in terms of their applicability to the UZ at Yucca Mountain. The rationale for selecting the conceptual models used for modeling of UZ flow and transport is documented. Numerical approaches for incorporating these conceptual models are evaluated in terms of their representation of the selected conceptual models and computational efficiency; and the rationales for selecting the numerical approaches used for modeling of UZ flow and transport are discussed. This report also documents activities to validate the active fracture model (AFM) based on experimental observations and theoretical developments. The AFM is a conceptual model that describes the fracture-matrix interaction in the UZ of Yucca Mountain. These validation activities are documented in Section 7 of this report regarding use of an independent line of evidence to provide additional confidence in the use of the AFM in the UZ models. The AFM has been used in UZ flow and transport models under both ambient and thermally disturbed conditions. Developments of these models are documented

  8. Effects of thermal vapor diffusion on seasonal dynamics of water in the unsaturated zone

    Science.gov (United States)

    Milly, Paul C.D.

    1996-01-01

    The response of water in the unsaturated zone to seasonal changes of temperature (T) is determined analytically using the theory of nonisothermal water transport in porous media, and the solutions are tested against field observations of moisture potential and bomb fallout isotopic (36Cl and 3H) concentrations. Seasonally varying land surface temperatures and the resulting subsurface temperature gradients induce thermal vapor diffusion. The annual mean vertical temperature gradient is close to zero; however, the annual mean thermal vapor flux is downward, because the temperature‐dependent vapor diffusion coefficient is larger, on average, during downward diffusion (occurring at high T) than during upward diffusion (low T). The annual mean thermal vapor flux is shown to decay exponentially with depth; the depth (about 1 m) at which it decays to e−1of its surface value is one half of the corresponding decay depth for the amplitude of seasonal temperature changes. This depth‐dependent annual mean flux is effectively a source of water, which must be balanced by a flux divergence associated with other transport processes. In a relatively humid environment the liquid fluxes greatly exceed the thermal vapor fluxes, so such a balance is readily achieved without measurable effect on the dynamics of water in the unsaturated zone. However, if the mean vertical water flux through the unsaturated zone is very small (theoretical prediction is supported by long‐term field measurements in the Chihuahuan Desert. The analysis also makes predictions, confirmed by the field observations, regarding the seasonal variations of matric potential at a given depth. The conceptual model of unsaturated zone water transport developed here implies the possibility of near‐surface trapping of any aqueous constituent introduced at the surface.

  9. Biodiesel unsaturation degree effects on diesel engine NOx emissions and cotton wick flame temperature

    OpenAIRE

    Abdullah Mohd Fareez Edzuan; Zhing Sim Shu; Bilong Bugik Clarence

    2017-01-01

    As compared with conventional diesel fuel, biodiesel has better lubricity and lower particulate matter (PM) emissions however nitrogen oxides (NOx) emissions generally increase in biodiesel-fuelled diesel engine. Strict regulation on NOx emissions is being implemented in current Euro 6 standard and it is expected to be tighter in next standard, thus increase of NOx cannot be accepted. In this study, biodiesel unsaturation degree effects on NOx emissions are investigated. Canola, palm and coco...

  10. Synthesis and research of derived oxazol-5-ones based on α,β – unsaturated ketones

    Directory of Open Access Journals (Sweden)

    Сергей Александрович Петров

    2015-11-01

    Full Text Available The article deals with the production of new fluorescent dyes derived oxazol-5-ones based on α, β-unsaturated ketones, as well as confirmation of the structure of the compounds obtained using NMR and IR spectroscopy. The dyes of this series are relevant because one of the important practical problems in organic chemistry and chemical technology is currently seeking new fluorescent dyes for dyeing polyester materials and polymers

  11. Polymerization of unsaturated monomers with radiation in the presence of salts

    International Nuclear Information System (INIS)

    Phalangas, C.J.; Restaino, A.J.; Yun, H.B.

    1977-01-01

    Improved process is claimed for the preparation of water-soluble, substantially linear, high molecular weight polymers, comprising irradiating an aqueous solution of an ethylenically unsaturated monomer and a water-soluble salt under controlled conditions of concentration, radiation intensity, conversion, and total radiation dose. The polymers may be obtained in aqueous gel form or recovered in the form of powder. The polymers are useful as flocculating, thickening, and mobility control agents

  12. TOUGH - a numerical model for nonisothermal unsaturated flow to study waste canister heating effects

    International Nuclear Information System (INIS)

    Pruess, K.; Wang, J.S.Y.

    1984-01-01

    The physical processes modeled and the mathematical and numerical methods employed in a simulator for non-isothermal flow of water, vapor, and air in permeable media are briefly summarized. The simulator has been applied to study thermohydrological conditions in the near vicinity of high-level nuclear waste packages emplaced in unsaturated rocks. The studies reported here specifically address the question whether or not the waste canister environment will dry up in the thermal phase. 13 references, 8 figures, 2 tables

  13. Hydrochemical investigations in characterizing the unsaturated zone at Yucca Mountain, Nevada

    International Nuclear Information System (INIS)

    Yang, I.C.; Rattray, G.W.; Ferarese, J.S.; Yu, P.; Ryan, J.N.

    1998-01-01

    Hydrochemical and isotopic investigations of ground water at Yucca Mountain, Nevada, site of a potential permanent national nuclear-waste repository, demonstrate that younger rocks are dominated by calcium-sulfate or calcium-chloride water and that older rocks contain sodium-carbonate or sodium-bicarbonate water. Furthermore, unsaturated-zone pore water has significantly larger concentrations of major ions and dissolved solids than does the saturated-zone water. Recharge of perched or saturated-zone water, therefore, requires rapid flow through fractures or permeable regions in the unsaturated zone to avoid mixing with the chemically concentrated water in the unsaturated zone. This conceptual model is consistent with observations of rapidly moved post-bomb (post-1954) tritium and chlorine-36 in the deep unsaturated zone at Yucca Mountain. Presence of post-bomb tritium in matrix water away from fracture zones further indicates that parts of the fast-flow water that moves through fractures have been diverted laterally into nonwelded units. Experimental data show that different lithologic units require specific water-extraction methods for stable-isotope analyses of hydrogen and oxygen to ensure accurate characterization. Vacuum-distillation and compression-extraction methods both can yield accurate data but must be used with specific lithologies. Column experiments demonstrate that percolating water can exchange with pore water of the core as well as water held in zeolite minerals in the core. Exchange rates range from days to months. Pore-water samples from core, therefore, reflect the most recently infiltrated water but do not reflect percolating water of the distant past

  14. Focused Flow During Infiltration Into Ethanol-Contaminated Unsaturated Porous Media

    Science.gov (United States)

    Jazwiec, A.; Smith, J. E.

    2017-12-01

    The increasing commercial and industrial use of ethanol, e.g. in biofuels, has generated increased incidents of vadose zone contamination by way of ethanol spills and releases. This has increased the interest in better understanding behaviors of ethanol in unsaturated porous media and it's multiphase interactions in the vadose zone. This study uses highly controlled laboratory experiments in a 2-D (0.6mx0.6mx0.01m) flow cell to investigate water infiltration behaviors into ethanol-contaminated porous media. Ethanol and water were applied by either constant head or constant flux methods onto the surface of sands homogenously packed into the flow cell. The constant flux experiments at both low and high application rates were conducted using a rainulator with a row of hypodermic needles connected to a peristaltic pump. The constant head experiments were conducted using an 8cm diameter tension disk infiltrometer set to both low and high tensions. The presence of ethanol contamination generated solute-dependent capillarity induced focused flow (SCIFF) of water infiltration, which was primarily due to decreases in interfacial tensions at the air-liquid interfaces in the unsaturated sands as a function of ethanol concentration. SCIFF was clearly expressed as an unsaturated water flow phenomenon comprised of narrowly focused vertical flow fingers of water within the initially ethanol contaminated porous media. Using analyses of photos and video, comparisons were made between constant flux and constant head application methods. Further comparisons were made between low and high infiltration rates and the two sand textures used. A high degree of sensitivity to minor heterogeneity in relatively homogeneous sands was also observed. The results of this research have implications for rainfall infiltration into ethanol contaminated vadose zones expressing SCIFF, including implications for associated mass fluxes and the nature of flushing of ethanol from the unsaturated zone to

  15. Effects of crude oil on water and tracer movement in the unsaturated and saturated zones.

    Science.gov (United States)

    Delin, Geoffrey N; Herkelrath, William N

    2017-05-01

    A tracer test was conducted to aid in the investigation of water movement and solute transport at a crude-oil spill site near Bemidji, Minnesota. Time of travel was measured using breakthrough curves for rhodamine WT and bromide tracers moving from the soil surface through oil-contaminated and oil-free unsaturated zones to the saturated zone. Results indicate that the rates of tracer movement were similar in the oil-free unsaturated and saturated zones compared to the oily zones. These results are somewhat surprising given the oil contamination in the unsaturated and saturated zones. Rhodamine tracer breakthrough in the unsaturated and saturated zones in general was delayed in comparison to bromide tracer breakthrough. Peak tracer concentrations for the lysimeters and wells in the oily zone were much greater than at the corresponding depths in the oil-free zone. Water and tracer movement in the oily zone was complicated by soil hydrophobicity and decreased oil saturations toward the periphery of the oil. Preferential flow resulted in reduced tracer interaction with the soil, adsorption, and dispersion and faster tracer movement in the oily zone than expected. Tracers were freely transported through the oily zone to the water table. Recharge calculations support the idea that the oil does not substantially affect recharge in the oily zone. This is an important result indicating that previous model-based assumptions of decreased recharge beneath the oil were incorrect. Results have important implications for modeling the fate and transport of dissolved contaminants at hydrocarbon spill sites. Published by Elsevier B.V.

  16. The role of Soil Water Retention Curve in slope stability analysis in unsaturated and heterogeneous soils.

    Science.gov (United States)

    Antinoro, Chiara; Arnone, Elisa; Noto, Leonardo V.

    2015-04-01

    The mechanisms of rainwater infiltration causing slope instability had been analyzed and reviewed in many scientific works. Rainwater infiltration into unsaturated soil increases the degree of saturation, hence affecting the shear strength properties and thus the probability of slope failure. It has been widely proved that the shear strength properties change with the soil water suction in unsaturated soils; therefore, the accuracy to predict the relationship between soil water content and soil water suction, parameterized by the soil-water characteristic curve, has significant effects on the slope stability analysis. The aim of this study is to investigate how the characterization of SWRC of differently structured unsaturated soils affects the slope stability on a simple infinite slope. In particular, the unimodal and bimodal distributions of the soil pore size were compared. Samples of 40 soils, highly different in terms of structure and texture, were collected and used to calibrate two bimodal SWRCs, i.e. Ross and Smettem (1993) and Dexter et al., (2008). The traditional unimodal van Genuchten (1980) model was also applied for comparison. Slope stability analysis was conducted in terms of Factor of Safety (FS) by applying the infinite slope model for unsaturated soils. In the used formulation, the contribution of the suction effect is tuned by a parameter 'chi' in a rate proportional to the saturation conditions. Different parameterizations of this term were also compared and analyzed. Results indicated that all three SWRC models showed good overall performance in fitting the sperimental SWRCs. Both the RS and DE models described adequately the water retention data for soils with a bimodal behavior confirmed from the analysis of pore size distribution, but the best performance was obtained by DE model confirmed. In terms of FS, the tree models showed very similar results as soil moisture approached to the saturated condition; however, within the residual zone

  17. Ruthenium-catalyzed direct C3 alkylation of indoles with α,β-unsaturated ketones.

    Science.gov (United States)

    Li, Shuai-Shuai; Lin, Hui; Zhang, Xiao-Mei; Dong, Lin

    2015-01-28

    In this paper, a simple and highly efficient ruthenium-catalyzed direct C3 alkylation of indoles with various α,β-unsaturated ketones without chelation assistance has been developed. This novel C-H activation methodology exhibits a broad substrate scope such as different substituted indoles, pyrroles, and other azoles. Further synthetic applications of the alkylation products can lead to more attractive 3,4-fused tricyclic indoles.

  18. A framework for sourcing of evaporation between saturated and unsaturated zone in bare soil condition

    OpenAIRE

    Balugani, E.; Lubczynski, M.W.; Metselaar, Klaas

    2016-01-01

    Sourcing subsurface evaporation (Ess) into groundwater (Eg) and unsaturated zone (Eu) components has received little scientific attention so far, despite its importance in water management and agriculture. We propose a novel sourcing framework, with its implementation in dedicated post-processing software called SOURCE (used along with the HYDRUS1D model), to study evaporation sourcing dynamics, define quantitatively “shallow” and “deep” water table conditions and test the applicability of wa...

  19. Organosulfate Formation through the Heterogeneous Reaction of Sulfur Dioxide with Unsaturated Compounds

    Science.gov (United States)

    George, C.; Passananti, M.; Kong, L.; Shang, J.; Perrier, S.; Jianmin, C.; Donaldson, D. J.

    2016-12-01

    The atmospheric formation of organosulfur derivatives through reaction with SO2 is generally mediated by oxidants such as O3, OH; recently we have proposed a direct reaction between SO2 and unsaturated compounds as another possible pathway for organosulfate formation in the troposphere. For the first time it was shown recently that a heterogeneous reaction between SO2 and oleic acid (OA; an unsaturated fatty acid) takes place and leads efficiently to the formation of organosulfur products. Here, we demonstrate that this reaction proceeds on various unsaturated compounds, and may therefore have a general environmental impact. We used different experimental strategies i.e., a coated flow tube (CFT), an aerosol flow tube (AFT) and a DRIFT (diffuse reflectance infrared Fourier transform) cell. The reaction products were analyzed by means of liquid chromatography coupled to a high resolution mass spectrometer (LC-HR-MS). We report indeed that SO2 reacts with large variety of C=C unsaturations and that even in the presence of ozone, SO2 reacts with OA leading to organosulfur products. A strong enhancement in product formation is observed under actinic illumination, increases the atmospheric significance of this chemical pathway. This is probably due to the chromophoric nature of the SO2 adduct with C=C bonds, and means that the contribution of this direct addition of SO2 could be in excess of 5%. The detection in atmospheric aerosols of organosulfur compounds with the same chemical formulae as the products identified here seems to confirm the importance of this reaction in the atmosphere.

  20. EU REPRO: The Production of fish feed enriched with poly-unsaturated fatty acid

    CSIR Research Space (South Africa)

    Erasmus, C

    2007-01-01

    Full Text Available .2 The Production of Fish Feed enriched with poly-unsaturated fatty acids Corinda Erasmus Annali Jacobs Gerda Lombard Petrus van Zyl Judy Reddy Ntombikayise Nkomo Elizabeth Timme Partner 11 Slide 2 © CSIR 2006 www... www.csir.co.za FLOW DIAGRAM OF THE PRODUCTION OF EPA- ENRICHED FISH FEED BSG (SPENT GRAIN) Eicosapentaenoic Acid (EPA) Protein-rich BSG FISH FEED PELLETS MODIFICATION OF BSG (ENZYME/CHEMICAL/MECHANICAL) FERMENTATION (RECOVERY OF EPA...

  1. A mountain-scale model for characterizing unsaturated flow and transport in fractured tuffs of Yucca Mountain

    International Nuclear Information System (INIS)

    Wu, Yu-Shu; Lu, Guoping; Zhang, Keni; Bodvarsson, G.S.

    2003-01-01

    This paper presents a large-scale modeling study characterizing fluid flow and tracer transport in the unsaturated zone of Yucca Mountain, Nevada, the proposed underground repository site for storing high-level radioactive waste. The modeling study is conducted using a three-dimensional numerical model, which incorporates a wide variety of field data and takes into account the coupled processes of flow and transport in Yucca Mountain's highly heterogeneous, unsaturated, fractured porous rock. The modeling approach is based on a dual-continuum formulation. Using different conceptual models of unsaturated flow, various scenarios of current and future climate conditions and their effects on the unsaturated zone are evaluated to aid in the assessment of the repository's system performance. These models are calibrated against field-measured data. Model-predicted flow and transport processes under current and future climates are discussed

  2. Pore-water extraction from unsaturated tuff by triaxial and one-dimensional compression methods, Nevada Test Site, Nevada

    International Nuclear Information System (INIS)

    Mower, T.E.; Higgins, J.D.; Yang, In C.; Peters, C.A.

    1994-01-01

    The hydrologic system in the unsaturated tuff at Yucca Mountain, Nevada, is being evaluated for the US Department of Energy by the Yucca Mountain Project Branch of the US Geological Survey as a potential site for a high-level radioactive-waste repository. Part of this investigation includes a hydrochemical study that is being made to assess characteristics of the hydrologic system such as: traveltime, direction of flow, recharge and source relations, and types and magnitudes of chemical reactions in the unsaturated tuff. In addition, this hydrochemical information will be used in the study of the dispersive and corrosive effects of unsaturated-zone water on the radioactive-waste storage canisters. This report describes the design and validation of laboratory experimental procedures for extracting representative samples of uncontaminated pore water from welded and nonwelded, unsaturated tuffs from the Nevada Test Site

  3. Unsaturated hydraulic conductivity of sandy soil columns packed to different bulk densities and water uptake by plantroots

    NARCIS (Netherlands)

    Rossi-Pisa, P.

    1978-01-01

    This paper describes a laboratory metbod used to determine both the soil moisture retention curve and the unsaturated hydraulic conductivity in soil columns under transient flow conditions during evaporation.

  4. (Bio-)remediation of VCHC contaminants in a Technosol under unsaturated conditions.

    Science.gov (United States)

    Baumgarten, W; Fleige, H; Peth, S; Horn, R

    2013-07-01

    The remediation of dense non-aqueous phase liquids has always been a concern of both public and scientific interest groups. In this research work a modified physical concept of (bio)remediation of a volatile chlorinated hydrocarbon (VCHC) contamination was elaborated under laboratory conditions and modeled with HYDRUS-2D. In field dechlorination is influenced by both physicochemical and hydraulic properties of the substrate, e.g. texture, pore size distribution, pore liquid characteristics, e.g. viscosity, pH, surface tension, and dependent on the degree of saturation of the vadose zone. Undisturbed soil cores (100 cm³) were sampled from a Spolic Technosol. Considering hydraulic properties and functions, unsaturated percolation was performed with vertically and horizontally structured samples. VCHC concentrations were calculated prior, during, and after each percolation cycle. According to laboratory findings, microemulsion showed the most efficient results with regard to flow behavior in the unsaturated porous media and its accessibility for bacteria as nutrient. The efficiency of VCHC remediation could be increased by the application of a modified pump-and-treat system: the injection of bacteria Dehalococcoides ethanogenes with microemulsion, and extraction at a constant matric potential level of -6 kPa. Achieved data was used for HYDRUS-2D simulations, modeling in situ conditions, demonstrating the practical relevance (field scale) of performed unsaturated percolation (core scale), and in order to exclude capillary barrier effects.

  5. Drift Scale Modeling: Study of Unsaturated Flow into a Drift Using a Stochastic Continuum Model

    International Nuclear Information System (INIS)

    Birkholzer, J.T.; Tsang, C.F.; Tsang, Y.W.; Wang, J.S

    1996-01-01

    Unsaturated flow in heterogeneous fractured porous rock was simulated using a stochastic continuum model (SCM). In this model, both the more conductive fractures and the less permeable matrix are generated within the framework of a single continuum stochastic approach, based on non-parametric indicator statistics. High-permeable fracture zones are distinguished from low-permeable matrix zones in that they have assigned a long range correlation structure in prescribed directions. The SCM was applied to study small-scale flow in the vicinity of an access tunnel, which is currently being drilled in the unsaturated fractured tuff formations at Yucca Mountain, Nevada. Extensive underground testing is underway in this tunnel to investigate the suitability of Yucca Mountain as an underground nuclear waste repository. Different flow scenarios were studied in the present paper, considering the flow conditions before and after the tunnel emplacement, and assuming steady-state net infiltration as well as episodic pulse infiltration. Although the capability of the stochastic continuum model has not yet been fully explored, it has been demonstrated that the SCM is a good alternative model feasible of describing heterogeneous flow processes in unsaturated fractured tuff at Yucca Mountain

  6. A free boundary problem describing the saturated-unsaturated flow in a porous medium

    Directory of Open Access Journals (Sweden)

    Gabriela Marinoschi

    2004-01-01

    Full Text Available This paper presents a functional approach to a nonlinear model describing the complete physical process of water infiltration into an unsaturated soil, including the saturation occurrence and the advance of the wetting front. The model introduced in this paper involves a multivalued operator covering the simultaneous saturated and unsaturated flow behaviors and enhances the study of the displacement of the free boundary between these two flow regimes. The model resides in Richards' equation written in pressure form with an initial condition and boundary conditions which in this work express the inflow due to the rain on the soil surface on the one hand, and characterize a certain permeability corresponding to the underground boundary, on the other hand. Existence, uniqueness, and regularity results for the transformed model in diffusive form, that is, for the moisture of the soil, and the existence of the weak solution for the pressure form are proved in the 3D case. The main part of the paper focuses on the existence of the free boundary between the saturated and unsaturated parts of the soil, and this is proved, in the 1D case, for certain stronger assumptions on the initial data and boundary conditions.

  7. Development of sugar palm yarn/glass fibre reinforced unsaturated polyester hybrid composites

    Science.gov (United States)

    Nurazzi, N. Mohd; Khalina, A.; Sapuan, S. Mohd; Rahmah, M.

    2018-04-01

    This study investigates the effect of fibre hybridization for sugar palm yarn fibre with glass fibre reinforced with unsaturated polyester composites. In this work, unsaturated polyester resin are reinforced with fibre at a ratio of 70:30 wt% and 60:40 wt%. The hybrid composites were characterized in terms of physical (density and water absorption), mechanical (tensile, flexural and compression) and thermal properties through thermal gravimetry analysis (TGA). Density determination showed that density increased with higher wt% of glass fibre. The inherently higher density of glass fibre increased the density of hybrid composite. Resistance to water absorption is improved upon the incorporation of glass fibre and the hybrid composites were found to reach equilibrium absorption at days 4 and 5. As for mechanical performance, the highest tensile strength, tensile modulus, flexural strength, flexural modulus and compression strength were obtained from 40 wt% of fibres reinforcement with ratio of 50:50 wt% of sugar palm yarn fibre and glass fibre reinforced unsaturated polyester composites. The increase of glass fibre loading had a synergistic effect on the mechanical properties to the composites structure due to its superior strength and modulus. The thermal stability of hybrid composites was improved by the increase of onset temperature and the reduction of residues upon increase in temperature.

  8. Hydrogeology of the unsaturated zone, North Ramp area of the Exploratory Studies Facility, Yucca Mountain, Nevada

    Energy Technology Data Exchange (ETDEWEB)

    Rousseau, J.P.; Kwicklis, E.M.; Gillies, D.C. [eds.

    1999-03-01

    Yucca Mountain, in southern Nevada, is being investigated by the US Department of Energy as a potential site for a repository for high-level radioactive waste. This report documents the results of surface-based geologic, pneumatic, hydrologic, and geochemical studies conducted during 1992 to 1996 by the US Geological Survey in the vicinity of the North Ramp of the Exploratory Studies Facility (ESF) that are pertinent to understanding multiphase fluid flow within the deep unsaturated zone. Detailed stratigraphic and structural characteristics of the study area provided the hydrogeologic framework for these investigations. Shallow infiltration is not discussed in detail in this report because the focus in on three major aspects of the deep unsaturated-zone system: geologic framework, the gaseous-phase system, and the aqueous-phase system. However, because the relation between shallow infiltration and deep percolation is important to an overall understanding of the unsaturated-zone flow system, a summary of infiltration studies conducted to date at Yucca Mountain is provided in the section titled Shallow Infiltration. This report describes results of several Site Characterization Plan studies that were ongoing at the time excavation of the ESF North Ramp began and that continued as excavation proceeded.

  9. Thermo-mechanical constitutive modeling of unsaturated clays based on the critical state concepts

    Directory of Open Access Journals (Sweden)

    Saeed Tourchi

    2015-04-01

    Full Text Available A thermo-mechanical constitutive model for unsaturated clays is constructed based on the existing model for saturated clays originally proposed by the authors. The saturated clays model was formulated in the framework of critical state soil mechanics and modified Cam-clay model. The existing model has been generalized to simulate the experimentally observed behavior of unsaturated clays by introducing Bishop's stress and suction as independent stress parameters and modifying the hardening rule and yield criterion to take into account the role of suction. Also, according to previous studies, an increase in temperature causes a reduction in specific volume. A reduction in suction (wetting for a given confining stress may induce an irreversible volumetric compression (collapse. Thus an increase in suction (drying raises a specific volume i.e. the movement of normal consolidation line (NCL to higher values of void ratio. However, some experimental data confirm the assumption that this reduction is dependent on the stress level of soil element. A generalized approach considering the effect of stress level on the magnitude of clays thermal dependency in compression plane is proposed in this study. The number of modeling parameters is kept to a minimum, and they all have clear physical interpretations, to facilitate the usefulness of model for practical applications. A step-by-step procedure used for parameter calibration is also described. The model is finally evaluated using a comprehensive set of experimental data for the thermo-mechanical behavior of unsaturated soils.

  10. Role of Unsaturated Lipid and Ergosterol in Ethanol Tolerance of Model Yeast Biomembranes

    KAUST Repository

    Vanegas, Juan M.

    2012-02-07

    We present a combined atomic force microscopy and fluorescence microscopy study of the behavior of a ternary supported lipid bilayer system containing a saturated lipid (DPPC), an unsaturated lipid (DOPC), and ergosterol in the presence of high ethanol (20 vol %). We find that the fluorescent probe Texas Red DHPE preferentially partitions into the ethanol-induced interdigitated phase, which allows the use of fluorescence imaging to investigate the phase behavior of the system. Atomic force microscopy and fluorescence images of samples with the same lipid mixture show good agreement in sample morphology and area fractions of the observed phases. Using area fractions obtained from fluorescence images over a broad range of compositions, we constructed a phase diagram of the DPPC/DOPC/ergosterol system at 20 vol % ethanol. The phase diagram clearly shows that increasing unsaturated lipid and/or ergosterol protects the membrane by preventing the formation of the interdigitated phase. This result supports the hypothesis that yeast cells increase ergosterol and unsaturated lipid content to prevent interdigitation and maintain an optimal membrane thickness as ethanol concentration increases during anaerobic fermentations. Changes in plasma membrane composition provide an important survival factor for yeast cells to deter ethanol toxicity.

  11. Prediction of unsaturated flow and water backfill during infiltration in layered soils

    Science.gov (United States)

    Cui, Guotao; Zhu, Jianting

    2018-02-01

    We develop a new analytical infiltration model to determine water flow dynamics around layer interfaces during infiltration process in layered soils. The model mainly involves the analytical solutions to quadratic equations to determine the flux rates around the interfaces. Active water content profile behind the wetting front is developed based on the solution of steady state flow to dynamically update active parameters in sharp wetting front infiltration equations and to predict unsaturated flow in coarse layers before the front reaches an impeding fine layer. The effect of water backfill to saturate the coarse layers after the wetting front encounters the impeding fine layer is analytically expressed based on the active water content profiles. Comparison to the numerical solutions of the Richards equation shows that the new model can well capture water dynamics in relation to the arrangement of soil layers. The steady state active water content profile can be used to predict the saturation state of all layers when the wetting front first passes through these layers during the unsteady infiltration process. Water backfill effect may occur when the unsaturated wetting front encounters a fine layer underlying a coarse layer. Sensitivity analysis shows that saturated hydraulic conductivity is the parameter dictating the occurrence of unsaturated flow and water backfill and can be used to represent the coarseness of soil layers. Water backfill effect occurs in coarse layers between upper and lower fine layers when the lower layer is not significantly coarser than the upper layer.

  12. Optimality and Conductivity for Water Flow: From Landscapes, to Unsaturated Soils, to Plant Leaves

    Energy Technology Data Exchange (ETDEWEB)

    Liu, H.H.

    2012-02-23

    Optimality principles have been widely used in many areas. Based on an optimality principle that any flow field will tend toward a minimum in the energy dissipation rate, this work shows that there exists a unified form of conductivity relationship for three different flow systems: landscapes, unsaturated soils and plant leaves. The conductivity, the ratio of water flux to energy gradient, is a power function of water flux although the power value is system dependent. This relationship indicates that to minimize energy dissipation rate for a whole system, water flow has a small resistance (or a large conductivity) at a location of large water flux. Empirical evidence supports validity of the relationship for landscape and unsaturated soils (under gravity dominated conditions). Numerical simulation results also show that the relationship can capture the key features of hydraulic structure for a plant leaf, although more studies are needed to further confirm its validity. Especially, it is of interest that according to this relationship, hydraulic conductivity for gravity-dominated unsaturated flow, unlike that defined in the classic theories, depends on not only capillary pressure (or saturation), but also the water flux. Use of the optimality principle allows for determining useful results that are applicable to a broad range of areas involving highly non-linear processes and may not be possible to obtain from classic theories describing water flow processes.

  13. Dissipative particle dynamics simulation of fluid motion through an unsaturated fracture and fracture junction

    International Nuclear Information System (INIS)

    Liu Moubin; Meakin, Paul; Huang Hai

    2007-01-01

    Multiphase fluid motion in unsaturated fractures and fracture networks involves complicated fluid dynamics, which is difficult to model using grid-based continuum methods. In this paper, the application of dissipative particle dynamics (DPD), a relatively new mesoscale method to simulate fluid motion in unsaturated fractures is described. Unlike the conventional DPD method that employs a purely repulsive conservative (non-dissipative) particle-particle interaction to simulate the behavior of gases, we used conservative particle-particle interactions that combine short-range repulsive and long-range attractive interactions. This new conservative particle-particle interaction allows the behavior of multiphase systems consisting of gases, liquids and solids to be simulated. Our simulation results demonstrate that, for a fracture with flat parallel walls, the DPD method with the new interaction potential function is able to reproduce the hydrodynamic behavior of fully saturated flow, and various unsaturated flow modes including thin film flow, wetting and non-wetting flow. During simulations of flow through a fracture junction, the fracture junction can be fully or partially saturated depending on the wetting property of the fluid, the injection rate and the geometry of the fracture junction. Flow mode switching from a fully saturated flow to a thin film flow can also be observed in the fracture junction

  14. Continuum model for water movement in an unsaturated fractured rock mass

    International Nuclear Information System (INIS)

    Peters, R.R.; Klavetter, E.A.

    1988-01-01

    The movement of fluids in a fractured, porous medium has been the subject of considerable study. This paper presents a continuum model that may be used to evaluate the isothermal movement of water in an unsaturated, fractured, porous medium under slowly changing conditions. This continuum model was developed for use in evaluating the unsaturated zone at the Yucca Mountain site as a potential repository for high-level nuclear waste. Thus its development has been influenced by the conditions thought to be present at Yucca Mountain. A macroscopic approach and a microscopic approach are used to develop a continuum model to evaluate water movement in a fractured rock mass. Both approaches assume that the pressure head in the fractures and the matrix are identical in a plane perpendicular to flow. Both approaches lead to a single-flow equation for a fractured rock mass. The two approaches are used to calculate unsaturated hydrologic properties, i.e., relative permeability and saturation as a function of pressure head, for several types of tuff underlying Yucca Mountain, using the best available hydrologic data for the matrix and the fractures. Rock mass properties calculated by both approaches are similar

  15. Effect of saturated and unsaturated fatty acid supplementation on bio-plastic production under submerged fermentation.

    Science.gov (United States)

    Srivastava, S K; Tripathi, Abhishek Dutt

    2013-10-01

    Polyhydroxyalkanoates (PHAs) are intracellular reserve material stored by gram-negative bacteria under nutrient-limited condition. PHAs are utilized in biodegradable plastics (bio-plastics) synthesis due to their similarity with conventional synthetic plastic. In the present study, the effect of addition of saturated and unsaturated fatty acids (palmitic acid, stearic acid, oleic acid and linoleic acid) on the production of PHAs by the soil bacterium Alcaligenes sp. NCIM 5085 was studied. Fatty acid supplementation in basal media produced saturated and unsaturated PHAs of medium and short chain length. Gas chromatography analysis of palmitic acid-supplemented media showed the presence of short chain length (scl) PHAs which could potentially serve as precursors for bio-plastic production. The scl PHA was subsequently characterized as PHB by NMR and FTIR. On the other hand, oleic acid and linoleic acid addition showed both saturated and unsaturated PHAs of different chain lengths. Palmitic acid showed maximum PHB content of 70.8 % at concentration of 15 g l -1 under shake flask cultivation. When shake flask cultivation was scaled up in a 7.5-l bioreactor (working volume 3 l), 7.6 g l -1 PHA was produced with a PHB yield (Y P/X ) and productivity of 75.89 % and 0.14 g l -1  h, respectively.

  16. Isotope studies of a thick unsaturated zone in a semi-arid area of Southern Africa

    International Nuclear Information System (INIS)

    Butler, M.J.; Verhagen, B.Th.

    2001-01-01

    Unsaturated zone profiles ranging in depth from 8 m to 22 m were obtained by hand augering an aeolian sand cover in the southern reaches of the semi-arid Kalahari thirstland. Moisture contents were rather low (<3 wt.%); in situ moisture chloride concentrations, measured by selective ion electrode following elutriation, are generally <500 ppm. Deuterium in the moisture was measured mass spectrometrically by direct quantitative conversion to hydrogen on zinc metal of moist soil samples. A novel technique of direct equilibration was developed for oxygen-18 analysis. Neither a thermonuclear tritium peak nor a stable isotope evaporation inversion near the surface could be observed in any of the profiles. Remarkable differences both laterally and vertically are observed in most parameters measured between profiles taken a few tens of metres apart. At greater depths, these differences become less pronounced. Recharge estimates based on chloride differ markedly from those obtained from tritium. Although the stable isotope values of the underlying saturated zone are similar to moisture in the deeper sections of the unsaturated zone profiles, the markedly lower chloride concentrations point towards preferential or bypass flow as an important mechanism of ground water recharge in the area. This can be regarded as a benchmark site on account of the wealth of unsaturated zone data as well as the detailed and ongoing rainfall record. (author)

  17. Pyrite oxidation in unsaturated aquifer sediments. Reaction stoichiometry and rate of oxidation

    DEFF Research Database (Denmark)

    Andersen, Martin Søgaard; Larsen, Flemming; Postma, Diederik Jan

    2001-01-01

    The oxidation of pyrite (FeS2) contained in unsaturated aquifer sediment was studied by sediment incubation in gas impermeable polymer laminate bags. Reaction progress was followed over a period of nearly 2 months by monitoring the gas composition within the laminate bag. The gas phase in the inc......The oxidation of pyrite (FeS2) contained in unsaturated aquifer sediment was studied by sediment incubation in gas impermeable polymer laminate bags. Reaction progress was followed over a period of nearly 2 months by monitoring the gas composition within the laminate bag. The gas phase...... in the incubation bags became depleted in O2 and enriched in CO2 and N2 and was interpreted as due to pyrite oxidation in combination with calcite dissolution. Sediment incubation provides a new method to estimate low rates of pyrite oxidation in unsaturated zone aquifer sediments. Oxidation rates of up to 9.4â10......-10 mol FeS2/gâs are measured, and the rates are only weakly correlated with the sediment pyrite content. The reactivity of pyrite, including the inhibition by FeOOH layers formed on its surface, apparently has a major effect on the rate of oxidation. The code PHREEQC 2.0 was used to calculate...

  18. Solutes transport in unsaturated double-porosity medium. Modelling by homogenization and applications

    International Nuclear Information System (INIS)

    Tran Ngoc, T.D.

    2008-07-01

    This Ph.D thesis presents the development of the solute transport models in unsaturated double-porosity medium, by using the asymptotic homogenization method. The obtained macroscopic models concern diffusion, diffusion-convection and dispersion-convection, according to the transport regime which is characterized by the non-dimensional numbers. The models consist of two coupled equations that show the local non-equilibrium of concentrations. The double-porosity transport models were numerically implemented using the code COMSOL Multiphysics (finite elements method), and compared with the solution of the same problem at the fine scale. The implementation allows solving the coupled equations in the macro- and micro-porosity domains (two-scale computations). The calculations of the dispersion tensor as a solution of the local boundary value problems, were also conducted. It was shown that the dispersivity depends on the saturation, the physical properties of the macro-porosity domain and the internal structure of the double-porosity medium. Finally, two series of experiments were performed on a physical model of double-porosity that is composed of a periodic assemblage of sintered clay spheres in Hostun sand HN38. The first experiment was a drainage experiment, which was conducted in order to validate the unsaturated flow model. The second series was a dispersion experiment in permanent unsaturated water flow condition (water content measured by gamma ray attenuation technique). A good agreement between the numerical simulations and the experimental observations allows the validation of the developed models. (author)

  19. Quantifying the Effects of Biofilm on the Hydraulic Properties of Unsaturated Soils

    Science.gov (United States)

    Volk, E.; Iden, S.; Furman, A.; Durner, W.; Rosenzweig, R.

    2017-12-01

    Quantifying the effects of biofilms on hydraulic properties of unsaturated soils is necessary for predicting water and solute flow in soil with extensive microbial presence. This can be relevant to bioremediation processes, soil aquifer treatment and effluent irrigation. Previous works showed a reduction in the hydraulic conductivity and an increase in water content due to the addition of biofilm analogue materials. The objective of this research is to quantify soil hydraulic properties of unsaturated soil (water retention and hydraulic conductivity) using real soil biofilm. In this work, Hamra soil was incubated with Luria Broth (LB) and biofilm-producing bacteria (Pseudomonas Putida F1). Hydraulic conductivity and water retention were measured by the evaporation method, Dewpoint method and a constant head permeameter. Biofilm was quantified using viable counts and the deficit of TOC. The results show that the presence of biofilms increases soil retention in the `dry' range of the curve and reduces the hydraulic conductivity (see figure). This research shows that biofilms may have a non-negligible effect on flow and transport in unsaturated soils. These findings contribute to modeling water flow in biofilm amended soil.

  20. Comparison of strongly heat-driven flow codes for unsaturated media

    International Nuclear Information System (INIS)

    Updegraff, C.D.

    1989-08-01

    Under the sponsorship of the US Nuclear Regulatory Commission, Sandia National Laboratories (SNL) is developing a performance assessment methodology for the analysis of long-term disposal of high-level radioactive waste (HLW) in unsaturated welded tuff. As part of this effort, SNL evaluated existing strongly heat-driven flow computer codes for simulating ground-water flow in unsaturated media. The three codes tested, NORIA, PETROS, and TOUGH, were compared against a suite of problems for which analytical and numerical solutions or experimental results exist. The problems were selected to test the abilities of the codes to simulate situations ranging from simple, uncoupled processes, such as two-phase flow or heat transfer, to fully coupled processes, such as vaporization caused by high temperatures. In general, all three codes were found to be difficult to use because of (1) built-in time stepping criteria, (2) the treatment of boundary conditions, and (3) handling of evaporation/condensation problems. A drawback of the study was that adequate problems related to expected repository conditions were not available in the literature. Nevertheless, the results of this study suggest the need for thorough investigations of the impact of heat on the flow field in the vicinity of an unsaturated HLW repository. Recommendations are to develop a new flow code combining the best features of these three codes and eliminating the worst ones. 19 refs., 49 figs

  1. Full-field dye concentration measurement within saturated/unsaturated thin slabs of porous media

    International Nuclear Information System (INIS)

    Norton, D.L.; Glass, R.J.

    1993-01-01

    This paper presents a full-field dye concentration measurement technique that extends our experimental capabilities to the measurement of transient dye concentration fields within steady state flow fields under unsaturated or saturated conditions. Simple light absorption theory provides a basis for translating images into high resolution dye concentration fields. A series of dye pulse experiments that demonstrate the combined use of the full-field saturation and dye concentration techniques was conducted at four different degrees of saturation. Each of these experimental sequences was evaluated with respect to mass balance, the results being within 5% of the known dye mass input. An image windowing technique allowed us to see increased dispersion due to decreasing moisture content, tailing of concentration at the rear of the dye pulse and slight velocity changes of the dispersive front due to changes in moisture content. The exceptional resolution of dye concentration in space and time provided by this laboratory technique allows systematic experimentation for examining basic processes affecting solute transport within saturated/unsaturated porous media. Future challenges for this work will be to use these techniques to analyze more complex systems involving heterogeneities, scaling laws, and detailed investigations of the relationship between transverse and longitudinal dispersion in unsaturated media

  2. Conceptualization of a hypothetical high-level nuclear waste repository site in unsaturated, fractured tuff

    International Nuclear Information System (INIS)

    Parsons, A.M.; Olague, N.E.; Gallegos, D.P.

    1991-01-01

    Under the sponsorship of the US Nuclear Regulatory Commission (NRC), Sandia National Laboratories (SNL) is developing a performance assessment methodology for the analysis of long-term disposal and isolation of high-level nuclear wastes (HLW) in alternative geologic media. As part of this exercise, SNL created a conceptualization of ground-water flow and radionuclide transport in the far field of a hypothetical HLW repository site located in unsaturated, fractured tuff formations. This study provides a foundation for the development of conceptual mathematical, and numerical models to be used in this performance assessment methodology. This conceptualization is site specific in terms of geometry, the regional ground-water flow system, stratigraphy, and structure in that these are based on information from Yucca Mountain located on the Nevada Test Site. However, in terms of processes in unsaturated, fractured, porous media, the model is generic. This report also provides a review and evaluation of previously proposed conceptual models of unsaturated and saturated flow and solute transport. This report provides a qualitative description of a hypothetical HLW repository site in fractured tuff. However, evaluation of the current knowledge of flow and transport at Yucca Mountain does not yield a single conceptual model. Instead, multiple conceptual models are possible given the existing information

  3. The Unsaturated Hydromechanical Coupling Model of Rock Slope Considering Rainfall Infiltration Using DDA

    Directory of Open Access Journals (Sweden)

    Xianshan Liu

    2017-01-01

    Full Text Available Water flow and hydromechanical coupling process in fractured rocks is more different from that in general porous media because of heterogeneous spatial fractures and possible fracture-dominated flow; a saturated-unsaturated hydromechanical coupling model using a discontinuous deformation analysis (DDA similar to FEM and DEM was employed to analyze water movement in saturated-unsaturated deformed rocks, in which the Van-Genuchten model differently treated the rock and fractures permeable properties to describe the constitutive relationships. The calibrating results for the dam foundation indicated the validation and feasibility of the proposed model and are also in good agreement with the calculations based on DEM still demonstrating its superiority. And then, the rainfall infiltration in a reservoir rock slope was detailedly investigated to describe the water pressure on the fault surface and inside the rocks, displacement, and stress distribution under hydromechanical coupling conditions and uncoupling conditions. It was observed that greater rainfall intensity and longer rainfall time resulted in lower stability of the rock slope, and larger difference was very obvious between the hydromechanical coupling condition and uncoupling condition, demonstrating that rainfall intensity, rainfall time, and hydromechanical coupling effect had great influence on the saturated-unsaturated water flow behavior and mechanical response of the fractured rock slopes.

  4. Conceptualization of a hypothetical high-level nuclear waste repository site in unsaturated, fractured tuff

    Energy Technology Data Exchange (ETDEWEB)

    Parsons, A.M.; Olague, N.E.; Gallegos, D.P. [Sandia National Labs., Albuquerque, NM (USA)

    1991-01-01

    Under the sponsorship of the US Nuclear Regulatory Commission (NRC), Sandia National Laboratories (SNL) is developing a performance assessment methodology for the analysis of long-term disposal and isolation of high-level nuclear wastes (HLW) in alternative geologic media. As part of this exercise, SNL created a conceptualization of ground-water flow and radionuclide transport in the far field of a hypothetical HLW repository site located in unsaturated, fractured tuff formations. This study provides a foundation for the development of conceptual mathematical, and numerical models to be used in this performance assessment methodology. This conceptualization is site specific in terms of geometry, the regional ground-water flow system, stratigraphy, and structure in that these are based on information from Yucca Mountain located on the Nevada Test Site. However, in terms of processes in unsaturated, fractured, porous media, the model is generic. This report also provides a review and evaluation of previously proposed conceptual models of unsaturated and saturated flow and solute transport. This report provides a qualitative description of a hypothetical HLW repository site in fractured tuff. However, evaluation of the current knowledge of flow and transport at Yucca Mountain does not yield a single conceptual model. Instead, multiple conceptual models are possible given the existing information.

  5. Method of polymerizing ethylenically unsaturated materials by irradiation and composition for use therein

    International Nuclear Information System (INIS)

    Nemcek, J.; Heap, N.

    1976-01-01

    This patent concerns photopolymerizable compositions consisting essentially of at least one polymerizable ethylenically unsaturated material and a photosensitive catalyst comprising (a) from 0.5 to 5 percent based on the ethylenically unsaturated material of at least one photosensitizer having the structure Ph(CO)C 2 A(CO)Ph, where Ph is phenyl, halogen-substituted phenyl, phenylene or halogen-substituted phenylene and A is a cyclic hydrocarbyl group, a halogen-substituted cyclic hydrocarbyl group, or a group of the formula X(NR)COCONRY, where X and Y each is hydrogen, a hydrocarbyl, or a halogen-substituted hydrocarbyl group, and (b) from 1 to 5 percent by weight based on the ethylenically unsaturated material of a reducing agent capable of reducing the photosensitizer when the photosensitizer is in an excited state. Also described is a process of preparing polymeric materials by irradiating the foregoing polymerizable composition at a wavelength capable of exciting the photosensitizer to an excited state

  6. Modeling one-dimensional unsaturated flow at the Rocky Flats Environmental Technology Site near Golden, Colorado

    International Nuclear Information System (INIS)

    Thompson, J.S.; Zeiler, R.M.

    1995-01-01

    A field investigation characterizing contamination at the Rocky Flats Plant (Rocky Flats Environmental Technology Site) near Golden, Colorado revealed unexpectedly high moisture contents in the unsaturated soil column (vadose zone) beneath several of the Plant's Waste Water Treatment Plant (WWTP) sludge drying beds. Because these beds were seldom in use, researchers had hypothesized that the water required to maintain the saturated conditions observed beneath several of the sludge drying beds was coming from sources other than the beds themselves. In an effort to substantiate this hypothesis, a one-dimensional physically-based unsaturated flow model was utilized to simulate the vertical movement of moisture from the sludge drying beds into the unsaturated soil column below. The model was run to simulate vertical flow over a two-year period and results indicated that no significant changes from initial conditions were apparent. This evidence supports the hypothesis that the high moisture contents found beneath the sludge drying beds are being fed by sources other than infiltration of sludge applied to the beds themselves. This paper presents the details of the simulation and provides further evidence of the hypothesized flow regime

  7. Dsc cure kinetics of an unsaturated polyester resin using empirical kinetic model

    International Nuclear Information System (INIS)

    Abdullah, I.

    2015-01-01

    In this paper, the kinetics of curing of unsaturated polyester resin initiated with benzoyl peroxide was studied. In case of unsaturated polyester (UP) resin, isothermal test alone could not predict correctly the curing time of UP resin. Therefore, isothermal kinetic analysis through isoconventional adjustment was used to correctly predict the curing time and temperature of UP resin. Isothermal kinetic analysis through isoconversional adjustment indicated that 97% of UP resin cures in 33 min at 120 degree C. Curing of UP resin through microwaves was also studied and found that 67% of UP resin cures in 1 min at 120 degree C. The crosslinking reaction of UP resin is so fast at 120 degree C that it becomes impossible to predict correctly the curing time of UP resin using isothermal test and the burial of C=C bonds in microgels makes it impossible to be fully cured by microwaves at 120 degree C. The rheological behaviour of unsaturated polyester resin was also studied to observe the change in viscosity with respect to time and temperature. (author)

  8. Assimilation of ambient seismic noise in hydrological models allows estimation of hydraulic conductivity in unsaturated media

    Science.gov (United States)

    Fores, B.; Champollion, C.; Mainsant, G.; Fort, A.; Albaric, J.

    2016-12-01

    Karstic hydrosystems represent one of the main water resources in the Mediterranean area but are challenging for geophysical methods. The GEK (Geodesy in Karstic Environment) observatory has been setup in 2011 to study the unsaturated zone of a karstic system in the south of France. The unsaturated zone (the epikarst) is thick and up to 100m on the site. Since 2011, gravity, rainfall and evapotranspiration are monitored. Together, they allow precise estimation of the global water storage changes but lack depth resolution. Surface waves velocity variations, obtained from ambient seismic noise monitoring are used here to overcome this lack. Indeed, velocities depend on saturation and the depths where changes occur can be defined as surface waves are dispersive. From October 2014 to November 2015, two seismometers have been recording noise. Velocity changes at a narrow frequency band (6-8 Hz) have shown a clear annual cycle. Minimum velocity is several months late on precipitations, which is coherent with a slow infiltration and a maximum sensitivity at -40m for these frequencies and this site. Models have been made with the Hydrus-1D software which allows modeling 1D-flow in variably saturated media. With a stochastic sampling, we have researched the underground parameters that reproduce the most the different observations (gravity, evapotranspiration and rainfall, and velocity changes). We show that velocity changes clearly constrain the hydraulic conductivity of the medium. Ambient seismic noise is therefore a promising method to study unsaturated zone which are too deep or too heterogeneous for classic methods.

  9. Role of Unsaturated Lipid and Ergosterol in Ethanol Tolerance of Model Yeast Biomembranes

    KAUST Repository

    Vanegas, Juan  M.; Contreras, Maria F.; Faller, Roland; Longo, Marjorie  L.

    2012-01-01

    We present a combined atomic force microscopy and fluorescence microscopy study of the behavior of a ternary supported lipid bilayer system containing a saturated lipid (DPPC), an unsaturated lipid (DOPC), and ergosterol in the presence of high ethanol (20 vol %). We find that the fluorescent probe Texas Red DHPE preferentially partitions into the ethanol-induced interdigitated phase, which allows the use of fluorescence imaging to investigate the phase behavior of the system. Atomic force microscopy and fluorescence images of samples with the same lipid mixture show good agreement in sample morphology and area fractions of the observed phases. Using area fractions obtained from fluorescence images over a broad range of compositions, we constructed a phase diagram of the DPPC/DOPC/ergosterol system at 20 vol % ethanol. The phase diagram clearly shows that increasing unsaturated lipid and/or ergosterol protects the membrane by preventing the formation of the interdigitated phase. This result supports the hypothesis that yeast cells increase ergosterol and unsaturated lipid content to prevent interdigitation and maintain an optimal membrane thickness as ethanol concentration increases during anaerobic fermentations. Changes in plasma membrane composition provide an important survival factor for yeast cells to deter ethanol toxicity.

  10. Monte Carlo simulation of nonlinear reactive contaminant transport in unsaturated porous media

    International Nuclear Information System (INIS)

    Giacobbo, F.; Patelli, E.

    2007-01-01

    In the current proposed solutions of radioactive waste repositories, the protective function against the radionuclide water-driven transport back to the biosphere is to be provided by an integrated system of engineered and natural geologic barriers. The occurrence of several nonlinear interactions during the radionuclide migration process may render burdensome the classical analytical-numerical approaches. Moreover, the heterogeneity of the barriers' media forces approximations to the classical analytical-numerical models, thus reducing their fidelity to reality. In an attempt to overcome these difficulties, in the present paper we adopt a Monte Carlo simulation approach, previously developed on the basis of the Kolmogorov-Dmitriev theory of branching stochastic processes. The approach is here extended for describing transport through unsaturated porous media under transient flow conditions and in presence of nonlinear interchange phenomena between the liquid and solid phases. This generalization entails the determination of the functional dependence of the parameters of the proposed transport model from the water content and from the contaminant concentration, which change in space and time during the water infiltration process. The corresponding Monte Carlo simulation approach is verified with respect to a case of nonreactive transport under transient unsaturated flow and to a case of nonlinear reactive transport under stationary saturated flow. Numerical applications regarding linear and nonlinear reactive transport under transient unsaturated flow are reported

  11. Graphene oxide-facilitated transport of levofloxacin and ciprofloxacin in saturated and unsaturated porous media.

    Science.gov (United States)

    Sun, Kaixuan; Dong, Shunan; Sun, Yuanyuan; Gao, Bin; Du, Wenchao; Xu, Hongxia; Wu, Jichun

    2018-04-15

    In this work, effects of graphene oxide (GO) on the co-transport of the two typical Fluoroquinolones (FQs) - levofloxacin (LEV) and ciprofloxacin (CIP) in saturated and unsaturated quartz sand media were studied. The adsorption isotherms showed that GO had much larger sorption capacities to LEV and CIP than sand with the largest Langmuir adsorption capacity of 409 mg g -1 (CIP-GO); while the sorption affinity of the two FQs onto the two adsorbents might follow the order of CIP-sand > LEV-sand > LEV-GO > CIP-GO. GO promoted the mobility of the two FQs in both saturated and unsaturated porous media due to its strong mobility and sorption capacity. The GO-bound LEV/CIP was responsible for the LEV/CIP transport in the porous media, and transport of GO-bound FQs increased with the increasing of initial GO concentration. Under unsaturated conditions, moisture showed little effect on the transport of GO-bound CIP; however, the mobility of GO-bound LEV reduced with the decreasing of moisture content, suggesting the transport of adsorbed LEV from GO to air-water interface. GO sorption reduced the antibacterial ability of the two FQs, but they were still effective in inhibiting E. coli growth. Copyright © 2018 Elsevier B.V. All rights reserved.

  12. Investigation of isotopic signals in the unsaturated zone with the use of direct push technology and azaeotropic distillation

    Directory of Open Access Journals (Sweden)

    Andreas Kallioras

    2012-09-01

    Full Text Available This paper contributes to the investigation of the unsaturated zone, through the application of combined field and lab techniques. The results show that direct push methods, which are considered ideal for multilevel sampling of undisturbed soil in the unsaturated zone, proved to be effective also for the consequent extraction of the pore water for further isotopic determination. This ultimate goal can be achieved thank to the application of azaetropic distillation, which has the least isotopic fractionation effects on groundwater samples.

  13. Effects of Unsaturated Fat Dietary Supplements on Blood Lipids, and on Markers of Malnutrition and Inflammation in Hemodialysis Patients

    DEFF Research Database (Denmark)

    Ewers, Bettina; Riserus, Ulf; Marckmann, Peter

    2009-01-01

    OBJECTIVE: We examined the effects of commercially available unsaturated fat dietary supplements on blood lipids, and on markers of malnutrition and inflammation, in an adult population of hemodialysis (HD) patients. DESIGN: This was a restricted, randomized (equal blocks), investigator-blinded 2x6...... as assessed according to C-reactive protein serum concentrations. Adding unsaturated fat to the diet seems to be a safe and effective way to prevent and treat malnutrition in hemodialysis patients....

  14. Plant adaptation to frequent alterations between high and low temperatures: remodeling of membrane lipids and maintenance of unsaturation levels

    OpenAIRE

    Zheng, Guowei; Tian, Bo; Zhang, Fujuan; Tao, Faqing; Li, Weiqi

    2011-01-01

    One major strategy by which plants adapt to temperature change is to decrease the degree of unsaturation of membrane lipids under high temperature and increase it under low temperature. We hypothesize that this strategy cannot be adopted by plants in ecosystems and environments with frequent alterations between high and low temperatures, because changes in lipid unsaturation are complex and require large energy inputs. To test this hypothesis, we used a lipidomics approach to profile changes ...

  15. Improved solution for saturated-unsaturated flow to a partially penetrating well in a compressible unconfined aquifer

    Science.gov (United States)

    Mishra, P. K.; Neuman, S. P.

    2009-12-01

    Tartakovsky and Neuman [2007] developed an analytical solution for flow to a partially penetrating well pumping at a constant rate from a compressible unconfined aquifer considering an unsaturated zone of infinite thickness. In their solution three-dimensional, axially symmetric unsaturated flow was described by a linearized version of Richards’ equation in which both relative hydraulic conductivity and water content vary exponentially with incremental capillary pressure head relative to its air entry value. Both exponential functions were characterized by a common exponent. We present an improved solution in which relative hydraulic conductivity and water content are characterized by separate parameters and the unsaturated zone has finite thickness. Our four-parameter representation of these functions is more flexible than the three-parameter version of Mathias and Butler [2006], who consider flow in the unsaturated zone to be strictly vertical and the pumping well to be fully penetrating. We investigate the effects of unsaturated zone thickness and constitutive parameters on drawdown in the unsaturated and saturated zones as functions of position and time. We then use our new solution to analyze data from synthetic and real pumping tests.

  16. A simple method to assess unsaturated zone time lag in the travel time from ground surface to receptor.

    Science.gov (United States)

    Sousa, Marcelo R; Jones, Jon P; Frind, Emil O; Rudolph, David L

    2013-01-01

    In contaminant travel from ground surface to groundwater receptors, the time taken in travelling through the unsaturated zone is known as the unsaturated zone time lag. Depending on the situation, this time lag may or may not be significant within the context of the overall problem. A method is presented for assessing the importance of the unsaturated zone in the travel time from source to receptor in terms of estimates of both the absolute and the relative advective times. A choice of different techniques for both unsaturated and saturated travel time estimation is provided. This method may be useful for practitioners to decide whether to incorporate unsaturated processes in conceptual and numerical models and can also be used to roughly estimate the total travel time between points near ground surface and a groundwater receptor. This method was applied to a field site located in a glacial aquifer system in Ontario, Canada. Advective travel times were estimated using techniques with different levels of sophistication. The application of the proposed method indicates that the time lag in the unsaturated zone is significant at this field site and should be taken into account. For this case, sophisticated and simplified techniques lead to similar assessments when the same knowledge of the hydraulic conductivity field is assumed. When there is significant uncertainty regarding the hydraulic conductivity, simplified calculations did not lead to a conclusive decision. Copyright © 2012 Elsevier B.V. All rights reserved.

  17. Unsaturated Zone Effects in Predicting Landslide and Debris-Flow Initiation

    Science.gov (United States)

    Baum, R. L.; Godt, J. W.; Savage, W. Z.

    2006-12-01

    Many destructive debris flows begin as shallow landslides induced by direct infiltration of intense rainfall and storm runoff into hillside materials. Predicting the timing and location of debris-flow initiation is needed to assess the debris-flow hazard of an area. Theoretical models and real-time monitoring of rainfall infiltration into unsaturated hillside materials provide useful insights into the mechanisms and timing of rainfall-induced landslides. We modeled the infiltration process using a two-layer system that consists of an unsaturated zone above a saturated zone, and then implemented this model in a GIS framework. The model couples analytical solutions for transient, unsaturated, vertical infiltration above the water table to pressure-diffusion solutions for pressure changes below the water table. The solutions are coupled through a transient water table that rises as water accumulates at the base of the unsaturated zone. This scheme, though limited to simplified soil- water characteristics and moist initial conditions, greatly improves computational efficiency over numerical models in spatially distributed modeling applications. Pore pressures computed by these coupled models are subsequently used in slope-stability computations to estimate the timing and locations of slope failures. Preliminary model results indicate that the unsaturated layer attenuates and delays the rainfall-induced pore- pressure response at depth, consistent with observations at an instrumented hillside near Edmonds, Washington. This attenuation reduces the area of false-positive predictions (when compared with results of linear models for suction-saturated initial conditions) in distributed application of the model over an area. Modeling indicates that initial wetness of the hillside materials affects the intensity and duration of rainfall required to trigger shallow landslides and consequently the timing of their occurrence, a result that is also consistent with observations of

  18. Development and validation of mechanical model for saturated/unsaturated bentonite buffer

    International Nuclear Information System (INIS)

    Yamamoto, S.; Komine, H.; Kato, S.

    2010-01-01

    Document available in extended abstract form only. Development and validation of mechanical models for bentonite buffer and backfill materials are one of important subjects to appropriately evaluate long term behaviour or condition of the EBS in radioactive waste disposal. The Barcelona Basic Model (BBM), which is one of extensions of the modified Cam-Clay model for unsaturated and expansive soil, has been developed and widely applied to several problems by using the coupled THM code, Code B right. Advantage of the model is that mechanical characteristics of buffer and backfill materials under not only saturated condition but also unsaturated one are taken account as well as swelling characteristics due to wetting. In this study the BBM is compared with already existing experimental data and already developed another model in terms of swelling characteristics of Japanese bentonite Kunigel-V1, and is validated in terms of consolidation characteristics based on newly performed controlled-suction oedometer tests for the Kunigel-V1 bentonite. Komine et al. (2003) have proposed a model (set of equations) for predicting swelling characteristics based on the diffuse double layer concept and the van der Waals force concept etc. They performed a lot of swelling deformation tests of bentonite and sand-bentonite mixture to confirm the applicability of the model. The BBM well agrees with the model proposed by Komine et al. and the experimental data in terms of swelling characteristics. Compression index and swelling index depending on suction are introduced in the BBM. Controlled-suction consolidation tests (oedometer tests) were performed to confirm the applicability of the suction dependent indexes to unsaturated bentonite. Compacted bentonite with initial dry density of 1.0 Mg/m 3 was tested. Constant suction, 80 kPa, 280 kPa and 480 kPa was applied and kept during the consolidation tests. Applicability of the BBM to consolidation and swelling behaviour of saturated and

  19. Saturated and unsaturated salt transport in peat from a constructed fen

    Science.gov (United States)

    Simhayov, Reuven B.; Weber, Tobias K. D.; Price, Jonathan S.

    2018-02-01

    The underlying processes governing solute transport in peat from an experimentally constructed fen peatland were analyzed by performing saturated and unsaturated solute breakthrough experiments using Na+ and Cl- as reactive and non-reactive solutes, respectively. We tested the performance of three solute transport models, including the classical equilibrium convection-dispersion equation (CDE), a chemical non-equilibrium one-site adsorption model (OSA) and a model to account for physical non-equilibrium, the mobile-immobile (MIM) phases. The selection was motivated by the fact that the applicability of the MIM in peat soils finds a wide consensus. However, results from inverse modeling and a robust statistical evaluation of this peat provide evidence that the measured breakthrough of the conservative tracer, Cl-, could be simulated well using the CDE. Furthermore, the very high Damköhler number (which approaches infinity) suggests instantaneous equilibration between the mobile and immobile phases underscoring the redundancy of the MIM approach for this particular peat. Scanning electron microscope images of the peat show the typical multi-pore size distribution structures have been homogenized sufficiently by decomposition, such that physical non-equilibrium solute transport no longer governs the transport process. This result is corroborated by the fact the soil hydraulic properties were adequately described using a unimodal van Genuchten-Mualem model between saturation and a pressure head of ˜ -1000 cm of water. Hence, MIM was not the most suitable choice, and the long tailing of the Na+ breakthrough curve was caused by chemical non-equilibrium. Successful description was possible using the OSA model. To test our results for the unsaturated case, we conducted an unsaturated steady-state evaporation experiment to drive Na+ and Cl- transport. Using the parameterized transport models from the saturated experiments, we could numerically simulate the unsaturated

  20. Federal interagency radiation policy coordination

    International Nuclear Information System (INIS)

    Young, A.L.

    1984-01-01

    The author discusses Federal interagency radiation policy coordination. The Committee on Interagency Radiation Research and Policy Coordination (CIRRPC) is explained as being dedicated to the success and forward motion of enhanced radiation research and policy coordination. Both CIRRPC and the Science Panel are staffed with Federal employees. Their expertise includes many and various radiation disciplines including cytogenetics, dosimetry, epidemiology, genetics, health physics, nuclear medicine, radiology, radiation carcinogenesis, and risk assessment. Ten scientific and technical issues in their preliminary order are presented: radioepidemiological tables; de minimis radiation levels; radon progeny health effects; occupational exposure registry; measurement, recording, and control of radiation; food irradiation; use of radiation in science, industry, and medicine; nonionizing radiation; and remedial actions

  1. An argument for VP coordination: scene-setting coordination and ...

    African Journals Online (AJOL)

    This article demonstrates the properties of this curious construction type and proposes the first analysis to date. It is argued that this is an instance of VP coordination and that this configuration allows the possibility of high merger of direct objects in a constrained fashion. Southern African Linguistics and Applied Language ...

  2. Introduction of damage in an elasto-plastic model for unsaturated geo-materials

    International Nuclear Information System (INIS)

    Le Pense, S.; Pouya, A.; Gatmiri, B.

    2012-01-01

    Document available in extended abstract form only. During the excavation of nuclear waste repository galleries, the surrounding soil is suspected to undergo structural changes as well as modification of its stress state. The desaturation due to ventilation of galleries during this stage makes it necessary to consider the unsaturated state of the host geo-material. The decompression occurring after the excavation leads to a modification of the stress state. The purpose of our work is to develop a mechanical model to simulate the non-linear stress-strain behaviour of geo-materials which will have to contain radioactivity of nuclear waste for a very long time. Two irreversible phenomena can explain the non-linear behaviour of geo-materials. Plasticity leads to irrecoverable strains. Damage, linked to the appearance and extension of microcracks, results in a deterioration of elastic and hydraulic properties. We will present here the bases of a new model coupling damage and plasticity for the stress-strain behaviour of unsaturated geo-materials. This model should be thermodynamically consistent and use only a reasonable number of parameters. Based on the work of Houlsby, (Houlsby 1997), we choose to use as constitutive variables for unsaturated soils Bishop's stress and suction. This choice as the advantage to allow for continuity at the transition between saturated and unsaturated states. Damage is taken into account by defining a damaged constitutive stress, which is similar to the effective stress principle defined by Kachanov (Kachanov 1958). A simple damage criterion is proposed and an associative flow rule is assumed. We choose to follow the principle of strain equivalence defined by Lemaitre (Lemaitre 1996). This leads to the following elasticity law giving the damaged constitutive stress as a function of elastic strain. If non-linear elasticity is considered, a pressure-dependent bulk modulus and a constant shear modulus can be chosen in order to fit

  3. Study of reactive solutes transport and PAH migration in unsaturated soils

    International Nuclear Information System (INIS)

    Gujisaite, V.; Simonnot, M.O.; Gujisaite, V.; Morel, J.L.; Ouvrard, S.; Simonnot, M.O.; Gaudet, J.P.

    2005-01-01

    Experimental studies about solute transport in soil have most of the time been conducted under saturated conditions, whereas studies with unsaturated media are usually limited to hydrodynamic analysis. Those are mainly concerning the prediction of water flow, which is the main vector for the transport of contaminants in soil. Only a few studies have made the link between unsaturated flow and physical, chemical and biological interactions, which are controlling the availability of pollutants. However, the presence of a gaseous phase in soil can modify not only the movement of soil solution, but also chemical interactions and exchanges between soil aggregates and solution. Study of reactive solute transport in the vadose zone seems thus to be a necessary stage to predict contaminant fate in natural soils, for risk assessment as well as for the design of effective processes for the remediation of contaminated soils. This question is the main objective of the present work developed in the frame of our French Scientific Interest Group Industrial Wastelands called 'GISFI' (www.gisfi.prd.fr), based around a scientific and technological project dedicated to acquisition of knowledge for sustainable requalification of degraded sites polluted by past industrial activities. We will focus here on Polycyclic Aromatic Hydrocarbons (PAH), which are among the most widely discussed environmental contaminants because of their toxicity for human health and ecosystems. They are present in large quantities in soils polluted by former industrial activities, especially in relation to the coal extraction, exploitation and treatment. An experimental system has been specifically designed at the laboratory scale to carry out experiments under controlled conditions, with an unsaturated steady-state flow. The first experiments are performed on model soils, in order to investigate unsaturated steady-state flow in relation to interactions mechanisms. We have thus chosen to use a sandy

  4. Evaluating the Relational Coordination instrument

    DEFF Research Database (Denmark)

    Edwards, Kasper; Lundstrøm, Sanne Lykke

    2014-01-01

    consistency, interrater agreement and reliability, structural validity, content validity. However as relational coordination is being used as a diagnostics tool it is important to examine further if the instrument can measure changes. Indeed we need to know how precise and sensitive the instrument is when....... We distinguish between statistical and clinical significance. Statistical significance is calculated using T-test. Clinical significance is the minimal amount of change in relational coordination score that is not considered noise. Sensitivity of the instrument i.e. the ability of the instrument...

  5. Cation coordination in oxychloride glasses

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, J A [Energy Technology Division, Argonne National Laboratory, Argonne, IL (United States); Holland, D [Physics Department, Warwick University, Coventry (United Kingdom); Bland, J [Physics Department, University of Liverpool, PO Box 147, Liverpool (United Kingdom); Johnson, C E [Physics Department, Northern Illinois University, DeKalb, IL (United States); Thomas, M F [Physics Department, University of Liverpool, PO Box 147, Liverpool (United Kingdom)

    2003-02-19

    Glasses containing mixtures of cations and anions of nominal compositions [Sb{sub 2}O{sub 3}]{sub x} - [ZnCl{sub 2}]{sub 1-x} where x = 0.25, 0.50, 0.75, and 1.00, have been studied by means of neutron diffraction and Raman and Moessbauer spectroscopy. There is preferential bonding within the system with the absence of Sb-Cl bonds. Antimony is found to be threefold coordinated to oxygen, and zinc fourfold coordinated. The main contributing species are of the form [Sb(OSb){sub 2}(OZn)] and [Zn(ClZn){sub 2}(OSb){sub 2}].

  6. Cation coordination in oxychloride glasses

    International Nuclear Information System (INIS)

    Johnson, J A; Holland, D; Bland, J; Johnson, C E; Thomas, M F

    2003-01-01

    Glasses containing mixtures of cations and anions of nominal compositions [Sb 2 O 3 ] x - [ZnCl 2 ] 1-x where x = 0.25, 0.50, 0.75, and 1.00, have been studied by means of neutron diffraction and Raman and Moessbauer spectroscopy. There is preferential bonding within the system with the absence of Sb-Cl bonds. Antimony is found to be threefold coordinated to oxygen, and zinc fourfold coordinated. The main contributing species are of the form [Sb(OSb) 2 (OZn)] and [Zn(ClZn) 2 (OSb) 2

  7. Bare coordination: the semantic shift

    OpenAIRE

    de Swart, Henriette; Le Bruyn, Bert

    2014-01-01

    This paper develops an analysis of the syntax-semantics interface of two types of split coordination structures. In the first type, two bare singular count nouns appear as arguments in a coordinated structure, as in bride and groom were happy. We call this the N&N construction. In the second type, the determiner shows agreement with the first conjunct, while the second conjunct is bare, as in the Spanish example el hornero y hornera cobraban en panes (‘thesg.m bakersg.m and bakersg.f werepl p...

  8. Binuclear and tetranuclear Mn(II) clusters in coordination polymers derived from semirigid tetracarboxylate and N‑donor ligands: syntheses, new topology structures and magnetism

    Energy Technology Data Exchange (ETDEWEB)

    Li, Xiao-Ling [College of Chemistry and Chemical Engineering, and Henan Key Laboratory of Function-Oriented Porous Materials, Luoyang Normal University, Luoyang 471934 (China); Liu, Guang-Zhen, E-mail: gzliuly@126.com [College of Chemistry and Chemical Engineering, and Henan Key Laboratory of Function-Oriented Porous Materials, Luoyang Normal University, Luoyang 471934 (China); Xin, Ling-Yun [College of Chemistry and Chemical Engineering, and Henan Key Laboratory of Function-Oriented Porous Materials, Luoyang Normal University, Luoyang 471934 (China); Wang, Li-Ya [College of Chemistry and Chemical Engineering, and Henan Key Laboratory of Function-Oriented Porous Materials, Luoyang Normal University, Luoyang 471934 (China); College of Chemistry and Pharmacy Engineering, Nanyang Normal University, Nanyang, Henan 473061 (China)

    2017-02-15

    Two topologically new Mn(II) coordination polymers, namely ([Mn{sub 2}(H{sub 4}ipca)(4,4′-bpy){sub 1.5}(CH{sub 3}CH{sub 2}OH){sub 0.5}(H{sub 2}O){sub 1.5}]·0.5CH{sub 3}CH{sub 2}OH·2.5H{sub 2}O){sub n} (1) and (Mn{sub 4}(H{sub 4}ipca){sub 2}(bze)(H{sub 2}O){sub 4}){sub n} (2) were prepared by the solvothermal reactions of Mn(II) acetate with 5-(2’,3’-dicarboxylphenoxy)isophthalic acid (H{sub 4}ipca) in the presence of different N-donor coligands (4,4′-bpy=4,4′-bipyridyl and bze=1, 4-bis(1-imidazoly)benzene). The single crystal X-ray diffractions reveal that two complexes display 3D metal-organic frameworks with binuclear and tetranuclear Mn(II) units, respectively. Complex 1 features a (3,4,6)-connected porous framework based on dinuclear Mn(II) unit with the (4.5{sup 2}){sub 2}(4{sup 2}.6{sup 8}.8{sup 3}.9{sup 2})(5{sup 2}.8.9{sup 2}.10) new topology, and complex 2 possesses a (3,8)-connected network based on tetranuclear Mn(II) unit with the (4{sup 2}.6){sub 2}(4{sup 4}.6{sup 14}.7{sup 7}.8{sup 2}.9) new topology. Magnetic analyses indicate that both two compounds show weak antiferromagnetic interactions within binuclear and tetranuclear Mn(II) units. - Graphical abstract: Two topologically new Mn(II) metal-organic frameworks with dinuclear and tetranuclear Mn(II) units respectively were assembled by using 5-(2′,3′-Dicarboxylphenoxy)isophthalic acid and N-donor ancillary coligands. Magnetic analysis revealed the existence of dominant antiferromagnetic interactions within the polynuclear Mn(II) units. - Highlights: • Mixed ligand strategy produces two topologically new MOFs with dinuclear and tetranuclear Mn(II) respectively. • Magnetic fitting gives weak antiferromagnetic interactions within the polynuclear Mn(II) units.

  9. 47 CFR 95.1113 - Frequency coordinator.

    Science.gov (United States)

    2010-10-01

    ... SERVICES Wireless Medical Telemetry Service (WMTS) General Provisions § 95.1113 Frequency coordinator. (a) The Commission will designate a frequency coordinator(s) to manage the usage of the frequency bands for the operation of medical telemetry devices. (b) The frequency coordinator shall (1) Review and...

  10. 29 CFR 42.8 - Coordination plan.

    Science.gov (United States)

    2010-07-01

    ... 29 Labor 1 2010-07-01 2010-07-01 true Coordination plan. 42.8 Section 42.8 Labor Office of the Secretary of Labor COORDINATED ENFORCEMENT § 42.8 Coordination plan. (a) Based upon, among other things, the... coordination plan concerning farm labor-related responsibilities of the Department, including migrant housing...

  11. Service Coordination Policies and Models: National Status.

    Science.gov (United States)

    Harbin, Gloria L.; Bruder, M.; Mazzarella, C.; Gabbard, G.; Reynolds, C.

    This report discusses the findings of a study that investigated state coordination of early intervention services for infants, toddlers, and young children with disabilities. State Part C coordinators participated in a survey that sought their perceptions of values under girding service coordination, approach to service coordination, policies,…

  12. U.S. CWMD Coordination

    Science.gov (United States)

    2012-12-11

    coordination. For example, it conducted joint vehicle inspection training for Pakistani Customs and Border Guard personnel at a US- Mexico border...biological material, including such hazards as: anthrax, botulism, cholera , Ebola virus hemorrhagic fever, E. coli, Plague, and smallpox 79

  13. Collective coordinates on symplectic manifolds

    International Nuclear Information System (INIS)

    Razumov, A.V.; Taranov, A.Yu.

    1981-01-01

    For an arbitrary Lie group of canonical transformations on a symplectic manifold collective coordinates are introduced. They describe a motion of the dynamical system as a whole under the group transformations. Some properties of Lie group of canonical transformations are considered [ru

  14. Motivic amplitudes and cluster coordinates

    International Nuclear Information System (INIS)

    Golden, J.K.; Goncharov, A.B.; Spradlin, M.; Vergu, C.; Volovich, A.

    2014-01-01

    In this paper we study motivic amplitudes — objects which contain all of the essential mathematical content of scattering amplitudes in planar SYM theory in a completely canonical way, free from the ambiguities inherent in any attempt to choose particular functional representatives. We find that the cluster structure on the kinematic configuration space Conf n (ℙ 3 ) underlies the structure of motivic amplitudes. Specifically, we compute explicitly the coproduct of the two-loop seven-particle MHV motivic amplitude A 7,2 M and find that like the previously known six-particle amplitude, it depends only on certain preferred coordinates known in the mathematics literature as cluster X-coordinates on Conf n (ℙ 3 ). We also find intriguing relations between motivic amplitudes and the geometry of generalized associahedrons, to which cluster coordinates have a natural combinatoric connection. For example, the obstruction to A 7,2 M being expressible in terms of classical polylogarithms is most naturally represented by certain quadrilateral faces of the appropriate associahedron. We also find and prove the first known functional equation for the trilogarithm in which all 40 arguments are cluster X-coordinates of a single algebra. In this respect it is similar to Abel’s 5-term dilogarithm identity

  15. Co-ordinated Classroom Lectures.

    Science.gov (United States)

    Harmon, Darell Boyd

    From a series of lectures, a selection of eight are oriented principally toward the biologically developing child, and the physiological operations in visual process. The numbered lectures are--(1) The Coordinated Classroom, its Philosophy and Principles, (2) An Outline of a Biological Point of View, (3) The Evolution of Structure--despite man's…

  16. Henry Taube and Coordination Chemistry

    Science.gov (United States)

    dropdown arrow Site Map A-Z Index Menu Synopsis Henry Taube and Coordination Chemistry Resources with Professor of Chemistry, Emeritus, at Stanford University, received the 1983 Nobel Prize in Chemistry " there from 1940-41. "I became deeply interested in chemistry soon after I came to Berkeley,"

  17. Modeling of flow and mass transport processes in unsaturated soils in combination with technical facilities; Modellierung von Stroemungs- und Stofftransportprozessen bei Kombination der ungesaettigten Bodenzone mit technischen Anlagen

    Energy Technology Data Exchange (ETDEWEB)

    Hasan, Issa

    2014-07-01

    The modelling of complex systems such as the underground is a means to describe the processes occurring in the reality. The conducting of experiments on a model to obtain qualitative evidence about a real system is referred to as a simulation. Thereby, various models (e.g. physical and mathematical models) can be used. The unsaturated zone (vadose zone) is the region between the land surface and the water table, in which the water content is less than full saturation, and the pressure is lower than the atmospheric pressure. The unsaturated zone is very significant for agriculture, geobiology, aerobic degradation processes and groundwater recharge. The processes of water flow and solute transport in the unsaturated zone can be described by means of numerical simulation programs. The aim of the present work is a comprehensive validation of the simulation program PCSiWaPro {sup registered} (developed at the TU-Dresden, Institute of Waste Management and Contaminated Site Treatment) for different applications. Another aim of this work is to investigate the applicability of the current version of PCSiWaPro {sup registered} for different cases of a combination between the unsaturated zone and technical facilities. Four application cases with different objectives were investigated within the present work, which are: the simulation of decentralized wastewater infiltration with corresponding column and field experiments, the computation of groundwater recharge by means of lysimeters, the water balance of earth dams and the modelling of landfill covering systems. The application cases differ from each other by the objective of the simulation, the geometry, the size, the specified initial and boundary conditions, the simulation time, the applied materials, the coordinate system, the input and output data. The simulation results clearly showed that PCSiWaPro {sup registered} is applicable for all investigated cases under consideration of different flow and solute transport

  18. Possibility of extending space-time coordinates

    International Nuclear Information System (INIS)

    Wang Yongcheng.

    1993-11-01

    It has been shown that one coordinate system can describe a whole space-time region except some supersurfaces on which there are coordinate singularities. The conditions of extending a coordinate from real field to complex field are studied. It has been shown that many-valued coordinate transformations may help us to extend space-time regions and many-valued metric functions may make one coordinate region to describe more than one space-time regions. (author). 11 refs

  19. Determination of Matric Suction and Saturation Degree for Unsaturated Soils, Comparative Study - Numerical Method versus Analytical Method

    Science.gov (United States)

    Chiorean, Vasile-Florin

    2017-10-01

    Matric suction is a soil parameter which influences the behaviour of unsaturated soils in both terms of shear strength and permeability. It is a necessary aspect to know the variation of matric suction in unsaturated soil zone for solving geotechnical issues like unsaturated soil slopes stability or bearing capacity for unsaturated foundation ground. Mathematical expression of the dependency between soil moisture content and it’s matric suction (soil water characteristic curve) has a powerful character of nonlinearity. This paper presents two methods to determine the variation of matric suction along the depth included between groundwater level and soil level. First method is an analytical approach to emphasize one direction steady state unsaturated infiltration phenomenon that occurs between the groundwater level and the soil level. There were simulated three different situations in terms of border conditions: precipitations (inflow conditions on ground surface), evaporation (outflow conditions on ground surface), and perfect equilibrium (no flow on ground surface). Numerical method is finite element method used for steady state, two-dimensional, unsaturated infiltration calculus. Regarding boundary conditions there were simulated identical situations as in analytical approach. For both methods, was adopted the equation proposed by van Genuchten-Mualen (1980) for mathematical expression of soil water characteristic curve. Also for the unsaturated soil permeability prediction model was adopted the equation proposed by van Genuchten-Mualen. The fitting parameters of these models were adopted according to RETC 6.02 software in function of soil type. The analyses were performed in both methods for three major soil types: clay, silt and sand. For each soil type were concluded analyses for three situations in terms of border conditions applied on soil surface: inflow, outflow, and no flow. The obtained results are presented in order to highlight the differences

  20. On coordinates and coordinate transformation in Einstein's theory of gravitation

    International Nuclear Information System (INIS)

    Chou Peiyuan

    1983-01-01

    This investigation is a further exposition of the significance of coordinates and their transformation in Einstein's theory of gravitation. The author considers the static axisymmetric field as an example, starts with its metric in the cylindrical coordinates, transforms this metric and the field equations into the Weyl-Levi-Civita system of coordinates, and supplements them with the harmonic condition. Both of the field equations and the harmonic condition are then transformed back to the original Cartesian system. Solutions for the static fields of an infinite plane with uniform surface density and an infinite rod with uniform linear density of matter, and of a body with spherical symmetry, are obtained again to show the necessity of the harmonic condition in their solutions. The fact that under the harmonic condition the solutions of the field equations for these problems contain their corresponding Newtonian potentials as approximations, is a strong support to the argument that the harmonic condition should be a physical supplement to Einstein's theory of gravitation. (Auth.)

  1. Investigation of Vertical Migration of Pollutants through the Unsaturated Zone Using Stable Isotopes and Trace Elements

    International Nuclear Information System (INIS)

    Ahmed, M.A.

    2012-01-01

    Vertical migration of pollutants through unsaturated zone is a complicated process and is affected by a number of factors like type of soil, its chemical properties, or organic matter content, in addition to climatic conditions and biological activity of microorganisms in soil. Soil properties that influence water movement through unsaturated zone are important for determining flow paths, reactions between soil and pollutants and the ultimate destination of these pollutants, and may improve the diagnosis of the potential pollution risk. Three soil cores were sampled to a depth up to 100 cm from cultivated clayey soil, sewage irrigated sandy soil and fertilized sandy soil. The samples were collected at intervals of 5 or 10 cm. The δ 13 C signature of the soil shifted significantly towards that of C 3 -type vegetation in soil cores. The general trend toward heavier 13 C enrichment with depth could be due to isotopic fractionation occurring during decomposition of soil organic matters. Increased δ 15 N with depth in the soil cores suggests that microbial mineralization, denitrification, or volatilization processes caused the enriched δ 15 N signatures. Decreasing nitrogen percent and nitrate values with depth also help support the idea of microbiological processes. The results indicate that concentrations of major and trace elements varied widely among the different soil types and decreased with depths in the studied soil profile. The accumulation pattern for these elements in the soil profiles follows the order: Co < Ni < Mo < Ag < Sr < V < Cu < Cr < Zn < Mn < B < Mg < Al < Fe. The relationships between element concentrations against ph and organic matter contents show antithetical relationships and suggest evidence that these elements arise from anthropogenic input. The results of this study show that there exists risk for the environment due to notable migration of pollutants through the unsaturated zone and that the migrations were also observed to be highly

  2. MECHANICAL AND THERMAL PROPERTIES OF COMPOSITES FROM UNSATURATED POLYESTER FILLED WITH OIL PALM ASH

    Directory of Open Access Journals (Sweden)

    M.S. Ibrahim

    2012-06-01

    Full Text Available Oil palm ash (OPA is available in abundance, is renewable, can be obtained at no cost and shows good performance at high thermal conditions. Combinations of the unsaturated polyester with natural fillers have been reported to improve the mechanical and thermal properties of composites. Utilisation of oil palm ash as a filler in the manufacture of polymer composites can significantly reduce the requirement for other binders or matrixes of composite materials. This research uses oil palm ash as a filler to form composites through the investigation of the effect of different contents of filler on the properties of OPA-filled unsaturated polyester (UP/OPA composites. The effect of different volume fractions, i.e., 0, 10, 20 and 30 vol.% of oil palm ash introduced into 100, 90, 80 and 70 vol.% of an unsaturated polyester matrix on the composite mechanical properties, i.e., tensile and flexural, has been studied, together with thermal gravimetric analysis (TGA and differential scanning calorimetric (DSC. Specimens were prepared using compression moulding techniques based on the ASTM D790 and D5083 standards for flexural and tensile tests, respectively. The tensile and flexural mechanical properties of UP/OPA composites were improved in modulus by increasing the filler content. Thermal stability of the composites increased as the OPA filler content was increased, which was a logical consequence because of the high thermal stability of the silica compound of the OPA filler compared with that of the UP matrix. The results from the surface electron microscope (SEM analysis were the extension of mechanical and thermal tests.

  3. The role of unsaturations in the Gamma irradiation of crosslinkable polymers

    International Nuclear Information System (INIS)

    Satti, Angel J.; Ciolino, Andrés E.; Andreucetti, Noemí A.; Vallés, Enrique M.

    2015-01-01

    Nowadays, the understanding of the interaction of ionizing radiations with polymeric materials is becoming increasingly important. It is well known that many parameters regarding the synthesis of the polymers noticeably affect the irradiation process. In this work, an analysis of the effect of the type and the position of unsaturations in the molecular structure of crosslinkable polymers is performed. For such purpose, two solid semycristalline metallocenic ethylene 1-olefin copolymers (mEOC) which contain a low concentration of unsaturations from the synthesis, and their hydrogenated samples, were irradiated along with liquid poly(dimethylsiloxane) (PDMS) homo and copolymers containing different location and concentration of vinyl groups, which were structurally tailored through anionic synthesis. The source of irradiation was 60 Co, under vacuum at room temperature, in all the cases. The results indicated that terminal vinyls drastically accelerate the crosslinking to lower doses, even at much lower concentrations than other type and location of unsaturations for both, mEOC and PDMS, type of polymers. - Graphical abstract: Irradiated PEX # (ethylene copolymers with an # amount of 1-hexene -H- or 1-octadecene -OD) and their non-vinyl containing hidrogenated samples (PEX #h), along with irradiated vinyl functionalized siloxane polymers. Numbers within parentheses correspond to the number of vinyl groups per polymer chain for each irradiated polymer. Note that PDVi have been crosslinked with the lower dose of irradiation, although it has only one vinyl group. However, that is a terminal vinyl, while for the other polydimethylsiloxane derivatives, vinyls are within the main chain. - Highlights: • Terminal vinyls from metallocenic synthesis accelerate radioinduced crosslinking. • Trans vinyl structures are generated during irradiation, but vinyldenes are reluctant to react. • The position of the vinyl groups noticeably affects the irradiation process.

  4. Unsaturated glycerophospholipids mediate heme crystallization: biological implications for hemozoin formation in the kissing bug Rhodnius prolixus.

    Directory of Open Access Journals (Sweden)

    Renata Stiebler

    Full Text Available Hemozoin (Hz is a heme crystal produced by some blood-feeding organisms, as an efficient way to detoxify heme derived from hemoglobin digestion. In the triatomine insect Rhodnius prolixus, Hz is essentially produced by midgut extracellular phospholipid membranes known as perimicrovillar membranes (PMVM. Here, we investigated the role of commercial glycerophospholipids containing serine, choline and ethanolamine as headgroups and R. prolixus midgut lipids (RML in heme crystallization. All commercial unsaturated forms of phospholipids, as well as RML, mediated fast and efficient β-hematin formation by means of two kinetically distinct mechanisms: an early and fast component, followed by a late and slow one. The fastest reactions observed were induced by unsaturated forms of phosphatidylethanolamine (uPE and phosphatidylcholine (uPC, with half-lives of 0.04 and 0.7 minutes, respectively. β-hematin crystal morphologies were strikingly distinct among groups, with uPE producing homogeneous regular brick-shaped crystals. Interestingly, uPC-mediated reactions resulted in two morphologically distinct crystal populations: one less representative group of regular crystals, resembling those induced by uPE, and the other largely represented by crystals with numerous sharp edges and tapered ends. Heme crystallization reactions induced by RML were efficient, with a heme to β-hematin conversion rate higher than 70%, but clearly slower (t1/2 of 9.9-17.7 minutes than those induced by uPC and uPE. Interestingly, crystals produced by RML were homogeneous in shape and quite similar to those mediated by uPE. Thus, β-hematin formation can be rapidly and efficiently induced by unsaturated glycerophospholipids, particularly uPE and uPC, and may play a role on biological heme crystallization in R. prolixus midgut.

  5. Elucidating the mechanical effects of pore water pressure increase on the stability of unsaturated soil slopes

    Science.gov (United States)

    Buscarnera, G.

    2012-12-01

    The increase of the pore water pressure due to rain infiltration can be a dominant component in the activation of slope failures. This paper shows an application of the theory of material stability to the triggering analysis of this important class of natural hazards. The goal is to identify the mechanisms through which the process of suction removal promotes the initiation of mechanical instabilities. The interplay between increase in pore water pressure, and failure mechanisms is investigated at material point level. In order to account for multiple failure mechanisms, the second-order work criterion is used and different stability indices are devised. The paper shows that the theory of material stability can assess the risk of shear failure and static liquefaction in both saturated and unsaturated contexts. It is shown that the combined use of an enhanced definition of second-order work for unsaturated porous media and a hydro-mechanical constitutive framework enables to retrieve bifurcation conditions for water-infiltration processes in unsaturated deposits. This finding discloses the importance of the coupling terms that incorporate the interaction between the solid skeleton and the pore fluids. As a consequence, these theoretical results suggest that some material properties that are not directly associated with the shearing resistance (e.g., the potential for wetting compaction) can play an important role in the initiation of slope failures. According to the proposed interpretation, the process of pore pressure increase can be understood as a trigger of uncontrolled strains, which at material point level are reflected by the onset of bifurcation conditions.

  6. Nitrogen fluxes through unsaturated zones in five agricultural settings across the United States

    Science.gov (United States)

    Green, C.T.; Fisher, L.H.; Bekins, B.A.

    2008-01-01

    The main physical and chemical controls on nitrogen (N) fluxes between the root zone and the water table were determined for agricultural sites in California, Indiana, Maryland, Nebraska, and Washington from 2004 to 2005. Sites included irrigated and nonirrigated fields; soil textures ranging from clay to sand; crops including corn, soybeans, almonds, and pasture; and unsaturated zone thicknesses ranging from 1 to 22 m. Chemical analyses of water from lysimeters and shallow wells indicate that advective transport of nitrate is the dominant process affecting the flux of N below the root zone. Vertical profiles of (i) nitrogen species, (ii) stable isotopes of nitrogen and oxygen, and (iii) oxygen, N, and argon in unsaturated zone air and correlations between N and other agricultural chemicals indicate that reactions do not greatly affect N concentrations between the root zone and the capillary fringe. As a result, physical factors, such as N application rate, water inputs, and evapotranspiration, control the differences in concentrations among the sites. Concentrations of N in shallow lysimeters exhibit seasonal variation, whereas concentrations in lysimeters deeper than a few meters are relatively stable. Based on concentration and recharge estimates, fluxes of N through the deep unsaturated zone range from 7 to 99 kg ha-1 yr-1. Vertical fluxes of N in ground water are lower due to spatial and historical changes in N inputs. High N fluxes are associated with coarse sediments and high N application rates. Copyright ?? 2008 by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America. All rights reserved.

  7. Estimation of deep infiltration in unsaturated limestone environments using cave lidar and drip count data

    Science.gov (United States)

    Mahmud, K.; Mariethoz, G.; Baker, A.; Treble, P. C.; Markowska, M.; McGuire, E.

    2016-01-01

    Limestone aeolianites constitute karstic aquifers covering much of the western and southern Australian coastal fringe. They are a key groundwater resource for a range of industries such as winery and tourism, and provide important ecosystem services such as habitat for stygofauna. Moreover, recharge estimation is important for understanding the water cycle, for contaminant transport, for water management, and for stalagmite-based paleoclimate reconstructions. Caves offer a natural inception point to observe both the long-term groundwater recharge and the preferential movement of water through the unsaturated zone of such limestone. With the availability of automated drip rate logging systems and remote sensing techniques, it is now possible to deploy the combination of these methods for larger-scale studies of infiltration processes within a cave. In this study, we utilize a spatial survey of automated cave drip monitoring in two large chambers of Golgotha Cave, south-western Western Australia (SWWA), with the aim of better understanding infiltration water movement and the relationship between infiltration, stalactite morphology, and unsaturated zone recharge. By applying morphological analysis of ceiling features from Terrestrial LiDAR (T-LiDAR) data, coupled with drip time series and climate data from 2012 to 2014, we demonstrate the nature of the relationships between infiltration through fractures in the limestone and unsaturated zone recharge. Similarities between drip rate time series are interpreted in terms of flow patterns, cave chamber morphology, and lithology. Moreover, we develop a new technique to estimate recharge in large-scale caves, engaging flow classification to determine the cave ceiling area covered by each flow category and drip data for the entire observation period, to calculate the total volume of cave discharge. This new technique can be applied to other cave sites to identify highly focussed areas of recharge and can help to better

  8. Inhibition of steroid 5 alpha-reductase by specific aliphatic unsaturated fatty acids.

    Science.gov (United States)

    Liang, T; Liao, S

    1992-01-01

    Human or rat microsomal 5 alpha-reductase activity, as measured by enzymic conversion of testosterone into 5 alpha-dihydrotestosterone or by binding of a competitive inhibitor, [3H]17 beta-NN-diethulcarbamoyl-4-methyl-4-aza-5 alpha-androstan-3-one ([3H]4-MA) to the reductase, is inhibited by low concentrations (less than 10 microM) of certain polyunsaturated fatty acids. The relative inhibitory potencies of unsaturated fatty acids are, in decreasing order: gamma-linolenic acid greater than cis-4,7,10,13,16,19-docosahexaenoic acid = cis-6,9,12,15-octatetraenoic acid = arachidonic acid = alpha-linolenic acid greater than linoleic acid greater than palmitoleic acid greater than oleic acid greater than myristoleic acid. Other unsaturated fatty acids such as undecylenic acid, erucic acid and nervonic acid, are inactive. The methyl esters and alcohol analogues of these compounds, glycerols, phospholipids, saturated fatty acids, retinoids and carotenes were inactive even at 0.2 mM. The results of the binding assay and the enzymic assay correlated well except for elaidic acid and linolelaidic acid, the trans isomers of oleic acid and linoleic acid respectively, which were much less active than their cis isomers in the binding assay but were as potent in the enzymic assay. gamma-Linolenic acid had no effect on the activities of two other rat liver microsomal enzymes: NADH:menadione reductase and glucuronosyl transferase. gamma-Linolenic acid, the most potent inhibitor tested, decreased the Vmax. and increased Km values of substrates, NADPH and testosterone, and promoted dissociation of [3H]4-MA from the microsomal reductase. gamma-Linolenic acid, but not the corresponding saturated fatty acid (stearic acid), inhibited the 5 alpha-reductase activity, but not the 17 beta-dehydrogenase activity, of human prostate cancer cells in culture. These results suggest that unsaturated fatty acids may play an important role in regulating androgen action in target cells. PMID:1637346

  9. A set of constitutive relationships accounting for residual NAPL in the unsaturated zone.

    Science.gov (United States)

    Wipfler, E L; van der Zee, S E

    2001-07-01

    Although laboratory experiments show that non-aqueous phase liquid (NAPL) is retained in the unsaturated zone, no existing multiphase flow model has been developed to account for residual NAPL after NAPL drainage in the unsaturated zone. We developed a static constitutive set of saturation-capillary pressure relationships for water, NAPL and air that accounts for both this residual NAPL and entrapped NAPL. The set of constitutive relationships is formulated similarly to the set of scaled relationships that is frequently applied in continuum models. The new set consists of three fluid-phase systems: a three-phase system and a two-phase system, that both comply with the original constitutive model, and a newly introduced residual NAPL system. The new system can be added relatively easily to the original two- and three-phase systems. Entrapment is included in the model. The constitutive relationships of the non-drainable residual NAPL system are based on qualitative fluid behavior derived from a pore scale model. The pore scale model reveals that the amount of residual NAPL depends on the spreading coefficient and the water saturation. Furthermore, residual NAPL is history-dependent. At the continuum scale, a critical NAPL pressure head defines the transition from free, mobile NAPL to residual NAPL. Although the Pc-S relationships for water and total liquid are not independent in case of residual NAPL, two two-phase Pc-S relations can represent a three-phase residual system of Pc-S relations. A newly introduced parameter, referred to as the residual oil pressure head, reflects the mutual dependency of water and oil. Example calculations show consistent behavior of the constitutive model. Entrapment and retention in the unsaturated zone cooperate to retain NAPL. Moreover, the results of our constitutive model are in agreement with experimental observations.

  10. Interpretation of chemical and isotopic data from boreholes in the unsaturated zone at Yucca Mountain, Nevada

    International Nuclear Information System (INIS)

    Yang, I.C.; Rattray, G.W.; Yu, P.

    1996-01-01

    Analyses of pore water from boreholes at Yucca Mountain indicate that unsaturated-zone pore water has significantly larger concentrations of chloride and dissolved solids than the saturated-zone water or perched-water bodies. Chemical compositions are of the calcium sulfate or calcium chloride types in the Paintbrush Group (Tiva Canyon, Yucca Mountain, Pah Canyon, and bedded tuffs), and sodium carbonate or bicarbonate type water in the Calico Hills Formation. Tritium profiles from boreholes at Yucca Mountain indicate tritium-concentration inversions (larger tritium concentrations are located below the smaller tritium concentration in a vertical profile) occur in many places. These inversions indicate preferential flow through fractures. Rock-gas compositions are similar to that of atmospheric air except that carbon dioxide concentrations are generally larger than those in the air. The delta carbon-13 values of gas are fairly constant from surface to 365.8 meters, indicating little interaction between the gas CO 2 and caliche in the soil. Model calculations indicate that the gas transport in the unsaturated zone at Yucca Mountain agrees well with the gas-diffusion process. Tritium-modeling results indicate that the high tritium value of about 100 tritium units in the Calico Hills Formation of UZ-16 is within limits of a piston-flow model with a water residence time of 32 to 35 years. The large variations in tritium concentrations with narrow peaks imply piston flow or preferential fracture flow rather than matrix flow. In reality, the aqueous-phase flow in the unsaturated zone is between piston and well-mixed flows but is closer to a piston flow

  11. Hydrocarbons biodegradation in unsaturated porous medium; Biodegradation des hydrocarbures en milieu poreux insature

    Energy Technology Data Exchange (ETDEWEB)

    Gautier, C

    2007-12-15

    Biological processes are expected to play an important role in the degradation of petroleum hydrocarbons in contaminated soils. However, factors influencing the kinetics of biodegradation are still not well known, especially in the unsaturated zone. To address these biodegradation questions in the unsaturated zone an innovative experimental set up based on a physical column model was developed. This experimental set up appeared to be an excellent tool for elaboration of a structured porous medium, with well defined porous network and adjusted water/oil saturations. Homogeneous repartition of both liquid phases (i.e., aqueous and non aqueous) in the soil pores, which also contain air, was achieved using ceramic membranes placed at the bottom of the soil column. Reproducible interfaces (and connectivity) are developed between gas, and both non mobile water and NAPL phases, depending on the above-defined characteristics of the porous media and on the partial saturations of these three phases (NAPL, water and gas). A respirometric apparatus was coupled to the column. Such experimental set up have been validated with hexadecane in dilution in an HMN phase. This approach allowed detailed information concerning n-hexadecane biodegradation, in aerobic condition, through the profile of the oxygen consumption rate. We have taken benefit of this technique, varying experimental conditions, to determine the main parameters influencing the biodegradation kinetics and compositional evolution of hydrocarbons, under steady state unsaturated conditions and with respect to aerobic metabolism. Impacts of the nitrogen quantity and of three different grain sizes have been examined. Biodegradation of petroleum cut, as diesel cut and middle distillate without aromatic fraction, were, also studied. (author)

  12. Determination of polynuclear aromatic hydrocarbons (PAHs) in ...

    African Journals Online (AJOL)

    AJB SERVER

    2006-11-02

    Nov 2, 2006 ... Several water bodies in the Niger Delta region of Nigeria where extensive crude oil ..... hydrocarbons (PAHs) in fish from the Red Sea Coast of Yemem. ... smoked meat products and smoke flavouring food additives. J.

  13. Determination of polynuclear aromatic hydrocarbons (PAHs) in ...

    African Journals Online (AJOL)

    AJB SERVER

    2006-11-02

    Nov 2, 2006 ... (PAHs) in selected water bodies in the Niger Delta. Chimezie Anyakora and ... production, foundries), transportation, burning (e.g. forest, straw, agriculture ..... the Red Sea Coast of Yemen (DouAbul et al., 1997), a comparable ...

  14. Adsorption of polynuclear aromatic hydrocarbons from aqueous

    African Journals Online (AJOL)

    ... atmospheric deposition, industrial and/or municipal effluent discharges, ... environment include permanganate and ozone oxidation [2], photocatalysis [3-5], .... gram of adsorbent using the non-linear Langmuir-Freundlich isotherm model to ...

  15. Polynuclear Aromatic Hydrocarbons with Curved Surfaces: Buckyballs

    Energy Technology Data Exchange (ETDEWEB)

    Sygula, Andrzej [Mississippi State Univ., Mississippi State, MS (United States)

    2016-08-15

    The discovery of a new allotropic form of elemental carbon – the fullerenes – and subsequently other novel forms of elemental carbon with pyramidalized surfaces, most notably single-walled and multi-walled carbon nanotubes, introduced a novel structural motif to the polycyclic aromatic hydrocarbons (PAHs) with nonplanar surfaces. Our research program supported by BES DOE grant DE-FG02-04ER15514 has dealt with the synthesis, structural studies, and chemistry of the novel curved-surface PAHs with carbon frameworks structurally related to fullerenes. They are referred to as “buckybowls”. We prepared several new buckybowls and, even more importantly, developed the efficient, gram-scale synthetic methodologies for the preparation of small buckybowls, most notably corannulene (C20H10) and its derivatives. In addition, the employment of the corannulene-based synthons previously developed in our laboratory led to a number of highly nonplanar molecular architectures with two or more corannulene subunits with a potential for the applications as novel materials in separation sciences, nanoelectronics, photovoltaics and catalysis. In collaboration with Professor Angelici (Iowa State) we prepared and characterized several transition metal complexes of corannulene, providing the first structural characterization of η6 metal complexes of buckybowls by a single crystal X-ray diffraction. In addition to the definitive structural characterization of the complexes we demonstrated that the (η6-C6Me6)Ru2+ unit in some relatively stable complexes activate the corannulene ligand to react with proper nucleophiles suggesting that such complexex may be used in catalysis. (Section C). We have explored the efficiency of the dispersion-based interactions of curved-surface conjugated carbon networks by high-level computational models. We showed that the curvature of such networks does not reduce the van der Waals attractions as compared to the planar systems of similar size. We than concentrated on the design, synthesis and testing of the previously unknown molecular receptors with corannulene pincers which are capable of forming the strong ball-and-socket inclusion complexes with fullerenes in solution and in the solid state. Buckycatcher I (a molecular receptor with two corannulene pincers preorganized on a tetrabensocyclooctatetraene tether) inclusion complexes with fullerenes provided the first experimental evidence for the importance of concave-convex π – π interactions in the supramolecular chemistry of fullerene carbon cages with buckybowls. C60@Buckycatcher I has become the prototypical supramolecular system formed by the relatively weak (on the atom-to-atom bases) and has been extensively used by the computational community to test the quality of the theoretical models. In addition, Buckycatcher I shows an exceptional ability to adopt other guest molecules and several its inclusion complexes and/or solvates have been structurally characterized. These unusual structures show the potential of the buckycatchers to be tested as novel organic materials. “Intelligent design” of molecular receptors with corannulene receptors using computational approach allowing for a priori prediction of their binding potentials led to the preparation of other buckycatchers. Both bi- and tridentate corannulene pincers were tested and two of the bidentate receptors (Buckycatchers II and III) exhibited the outstanding affinity toward fullerenes, significantly exciding Buckycatcher I performance. Careful tailoring of the tethers resulted in the optimization of binding energies of the receptors with guest carbon cages and in the reduction of the entropy/solvation penalties. Practical preparation of dicorannulenopentacene opens a new avenue for the synthesis of a pool of bis-corannulene receptors possessing polar groups on their dibenzobarrelene tether. The polar “anchors” can be used to attach these efficient fullerene receptors to solid supports in order to modify their surfaces with the potential applications in separation sciences, catalysis and photovoltaic materials. additionally, the presence of such groups will improve the solubility of the receptors in polar solvents, expanding the scope of their supramolecular chemistry in solutions. Rigorous studies of thermodynamics of host-guest association of molecular clips and tweezers in organic solvents with C60/C70 inclusion complexes with Buckycatcher I as a model system have provided a full set of thermodynamical data including ΔG, ΔH, and –TΔS, for the formation of the inclusion complexes over a range of temperatures and in several solvents. Both 1H NMR and Isothermal Calorimetry (ITC) titrations provide virtually identical association constants, confirming the reliability of the results. WE have shown that thermodynamics of the host-guest complex formation is more complicated than anticipated and proposed by the existing computational models. These data are of premium importance for the testing of the computational solvation models and for a deeper understanding of the supramolecular interactions in organic solvents.

  16. A green synthesis of α,β-unsaturated carbonyl compounds from glyceraldehyde acetonide

    Directory of Open Access Journals (Sweden)

    Cláudia O. Veloso

    2011-01-01

    Full Text Available The catalytic behavior of Cs-exchanged and Cs-impregnated zeolites (X and Y was studied using the Knoevenagel condensation between glyceraldehyde acetonide and ethyl acetoacetate in order to produce the corresponding α,β-unsaturated carbonyl compound that is an important intermediate for fine chemicals. The influence of reaction temperature, type of zeolite, and basicity of the sites on the catalytic behavior of the samples was evaluated. All zeolites were active for the studied reaction. The formation of the main condensation product was favored at lower reaction temperatures. Products of further condensations were also observed especially for samples that were only dried before catalytic test.

  17. Thermal effects on water exclusion from a cavity in unsaturated tuff

    International Nuclear Information System (INIS)

    Zhou, W.; Chambre, P.L.; Pigford, T.H.; Lee, W.W.L.

    1992-01-01

    For an unsaturated, fractured porous medium subjected to uniform infiltration, we analyze thermal effects on water exclusion from cavities. This is of practical interest in a nuclear waste repository. A crucial question is: How much infiltration will lead to heated cavity-rock interface in tunnels and drifts being saturated so that water can enter a cavity. The combination of cavity size, dimensionless temperature difference, and infiltration rate that will lead to the critical condition at the cavity apex; this calculation considers the tuff matrix only. Here, the large projection area of the cavity intercepts large amounts of infiltration, requiring a lesser critical infiltration rate to saturate the cavity apex

  18. Coupled Hydromechanical and Electromagnetic Responses in Unsaturated Porous Media: Theory, Observation, and Numerical Simulations

    Science.gov (United States)

    Mahardika, Harry

    Hydromechanical energy can be partially converted into electromagnetic energy due to electrokinetic effect, where mechanical energy causes the relative displacement of the charged pore water with respect to the solid skeleton of the porous material and generated electrical current density. An application of this phenomenon is seismoelectric method, a geophysical method in which electromagnetic signals are recorded and associated with the propagation of seismic waves. Due to its coupling nature, seismoelectric method promises advantages in characterizing the subsurface properties and geometry compared to independent employments of seismic or electromagnetic acquisition alone. Since the recorded seismoelectric signal are sensitive to water content changes this method have been applied for groundwater studies to delineates vadoze zone-aquifer boundary since the last twenty years. The problem, however, the existing governing equations of coupled seismic and electromagnetic are not accounted for unsaturated conditions and its petrophysical sensitivity to water content. In this thesis we extend the applications of seismoelectric method for unsaturated porous medium for several geophysical problems. (1) We begin our study with numerical study to localize and characterize a seismic event induced by hydraulic fracturing operation sedimentary rocks. In this problem, we use the fully-saturated case of seismoelectric method and we propose a new joint inversion scheme (seismic and seismoelectric) to determine the position and moment tensor that event. (2) We expand the seismoelectric theory for unsaturated condition and show that the generation of electrical current density are depend on several important petrophysical properties that are sensitive to water content. This new expansion of governing equation provide us theory for developing a new approach for seismoelectric method to image the oil water encroachment front during water flooding of an oil reservoir or an aquifer

  19. Hydrologic characterization of faults and other potentially conductive geologic features in the unsaturated zone

    International Nuclear Information System (INIS)

    Javandel, I.; Shan, C.

    1990-01-01

    The capability of characterizing near-vertical faults and other potentially highly conductive geologic features in the vicinity of a high-level-waste repository is of great importance in site characterization of underground waste-isolation projects. The possibility of using transient air pressure data at depth for characterizing these features in the unsaturated zone are investigated. Analytical solutions for calculating the pressure response of such systems are presented. Solutions are given for two types of barometric pressure fluctuations, step function and sinusoidal. 3 refs., 9 figs

  20. Structure of products of the condensation of α,β-unsaturated aldehydes with dimedone

    International Nuclear Information System (INIS)

    Yurchenko, O.I.; Pushkareva, K.S.; Zheldubovskaya, G.A.; Komarov, N.V.; Berkova, G.A.

    1987-01-01

    α,β-Acetylenic aldehydes and cinnamaldehyde in reaction with dimedone give the corresponding unsaturated bis(dimedonyl)methanes. In the case of acrolein and crotonaldehyde intramolecular cyclization occurs with the participation of hydroxyl of the dimedone fragment and the double bond with the formation of pyran systems. The PMR spectra were determined on Tesla BS-487C (80 MHz) and Tesla BS-467C (60 MHz) spectrometers in chloroform-d, pyridine-d 5 , and trifluoroacetic acid solutions. Internal standards HMDS and methylene chloride