WorldWideScience

Sample records for c-phycocyanin hydration water

  1. Hydration water in dynamics of a hydrated beta-lactoglobulin

    Science.gov (United States)

    Yoshida, K.; Yamaguchi, T.; Bellissent-Funel, M.-C.; Longeville, S.

    2007-02-01

    Incoherent spin-echo signals of a hydrated β-lactoglobulin protein were investigated, at 275 and 293 K. The intermediate scattering functions I(Q,t) were divided in two contributions from surface water and protein, respectively. On one hand, the dynamics of the surface water follows a KWW stretched exponential function (the exponent is ~0.5), on the other hand, that of the protein follows a single exponential. The present results are consistent with our previous results of hydrated C-phycocyanin combining elastic and quasielastic neutron scattering and by molecular dynamics simulation.

  2. Dynamics of hydration water in protein

    International Nuclear Information System (INIS)

    Incoherent quasi-elastic neutron scattering studies of in vivo deuterated C-phycocyanin, at different levels of hydration, have been made. We show that the mobility at high temperature, (∝300 K) of the water molecules near the protein surface can be described by relatively simple models. At full hydration the high temperature data can be interpreted using a model where each water molecule is diffusing in a confined space of 3 A in radius. At low hydration, and 298 K, the diffusional behaviour is typical of jump diffusion with a residence time 10 times larger than the one in bulk water at the same temperature. (orig.)

  3. Single-particle dynamics of hydration water in protein

    International Nuclear Information System (INIS)

    Incoherent quasi-elastic and inelastic neutron scattering studies of in vivo deuterated C-phycocyanin have been made. At full hydration the high-temperature data can be interpreted using a model where each water molecule is diffusing in a confined space of 3 A in radius. The excess elastic intensity at large Q indicates that a relatively low fraction of a water molecules attached to the immediate vicinity of the protein surface is immobile, in agreement with computer simulation. The translational and librational density of states show slight up-shifts from the corresponding bulk cases. (orig.)

  4. Single-particle dynamics of hydration water in protein

    Energy Technology Data Exchange (ETDEWEB)

    Bellissent-Funel, M.C.; Teixeira, J. (Lab. Leon Brillouin (CEA-CNRS), CEN-Saclay, 91 - Gif-sur-Yvette (France)); Bradley, K.F.; Chen, S.H. (Nuclear Engineering Dept., M.I.T., Cambridge, MA (United States)); Crespi, H.L. (Chemistry Div., Argonne National Lab., IL (United States))

    1992-06-01

    Incoherent quasi-elastic and inelastic neutron scattering studies of in vivo deuterated C-phycocyanin have been made. At full hydration the high-temperature data can be interpreted using a model where each water molecule is diffusing in a confined space of 3 A in radius. The excess elastic intensity at large Q indicates that a relatively low fraction of a water molecules attached to the immediate vicinity of the protein surface is immobile, in agreement with computer simulation. The translational and librational density of states show slight up-shifts from the corresponding bulk cases. (orig.).

  5. Production of Nanofibers Containing the Bioactive Compound C-Phycocyanin.

    Science.gov (United States)

    Figueira, Felipe da Silva; Gettens, Juliana Garcia; Costa, Jorge Alberto Vieira; de Morais, Michele Greque; Moraes, Caroline Costa; Kalil, Susana Juliano

    2016-01-01

    C-phycocyanin (C-PC) is a water-soluble phycobiliprotein present in light-harvesting antenna system of cyanobacteria. The nanostructures have not been widely evaluated, precluding improvements in stability and application of the C-PC. Electrospun nanofibers have an extremely high specific surface area due to their small diameter, they can be produced from a wide variety of polymers, and they are successfully evaluated to increase the efficacy of antitumor drugs. The incorporation of C-PC into nanofibers would allow investigations of potential uses in alternative cancer treatments and tissue engineering scaffolds. In this paper, C-phycocyanin were incorporated into the polymer polyethylene oxide (PEO) in various concentrations for nanofiber production via an electrospinning process. Nanofibers structures were analyzed using digital optical microscopy and scanning electron microscopy (SEM). Thermogravimetric analysis was performed on the pure starting compounds and the produced nanofibers. At a concentration of 2% (w/w) of PEO, nanofibers were not produced, and concentrations of 4% (w/w) of PEO failed to produce nanofibers of good quality. Solutions with 6% (w/w) PEO, 6% (w/w) PEO plus 1% (w/w) NaCI, and 8% (w/w) PEO promote the formation of bluish, homogeneous and bead-free nanofibers with average diameters varying between 542.1 and 759.9 nm, as evaluated by optical microscopy. SEM analysis showed that nanofibers produced from polymer solutions containing 6% (w/w) PEO, 1% (w/w) NaCl and 3% (w/w) C-PC have an average diameter of 295 nm. Thermogravimetric analysis detected an increase in thermal resistance with the incorporation of C-phycocyanin into nanofibers. PMID:27398551

  6. C-phycocyanin extraction from Spirulina platensis wet biomass

    OpenAIRE

    C. C. Moraes; Luisa Sala; G. P. Cerveira; S. J. Kalil

    2011-01-01

    C-Phycocyanin is a natural blue dye used in food and pharmaceutical industry. In the present study, a simple and efficient method to extract C-phycocyanin from Spirulina platensis wet biomass is reported. The extractions were carried out using six different methods, including chemical (organic and inorganic acid treatment), physical (freezing and thawing, sonication, homogenization) and enzymatic (lysozyme treatment) methods. The extraction using ultrasonic bath in the presence of glass pearl...

  7. Structure and dynamics of interfacial water. Role of hydratation water in the globular proteins dynamics

    International Nuclear Information System (INIS)

    This memoir includes five chapters. In the first chapter, are given the elements of the neutrons scattering theory that is used in this study. the second chapter is devoted to a general presentation of the interaction between biological macro molecule and water. The third part is dedicated to the study of the structure and the dynamics of interfacial water in the neighbouring of model systems, the vycor and the amorphous carbon. The results presented in this part are compared with these one relative to water dynamics at the C-phycocyanin surface. This study makes the object of the fourth chapter. Then, in the fifth and last chapter are discussed the results relative to the role of hydratation on the parv-albumin dynamics for which have been combined the neutron quasi elastic incoherent scattering and the nuclear magnetic resonance of the carbon 13 solid in natural abundance

  8. C-phycocyanin extraction from Spirulina platensis wet biomass

    Directory of Open Access Journals (Sweden)

    C. C. Moraes

    2011-03-01

    Full Text Available C-Phycocyanin is a natural blue dye used in food and pharmaceutical industry. In the present study, a simple and efficient method to extract C-phycocyanin from Spirulina platensis wet biomass is reported. The extractions were carried out using six different methods, including chemical (organic and inorganic acid treatment, physical (freezing and thawing, sonication, homogenization and enzymatic (lysozyme treatment methods. The extraction using ultrasonic bath in the presence of glass pearls in the biomass proved to be the most efficient method, 56% higher than using freezing and thawing (the method most frequently used, and presented a extraction yield of 43.75 mg.g-1 and a C-phycocyanin concentration of 0.21 mg.mL-1.

  9. ENERGY TRANSFER IN TRIMERIC C-PHYCOCYANIN STUDIED BY PICOSECOND FLUORESCENCE KINETICS

    OpenAIRE

    WENDLER, J.; John, Wolfhart; Scheer, Hugo; Holzwarth, A. R.

    1986-01-01

    The excited state kinetics of trimeric C-phycocyanin from Mastigocladus laminosus has been measured as a function of the emission and excitation wavelength by the single-photon timing technique with picosecond resolution and simultaneous data analysis. A fast decay component of 22 ps (C-phycocyanin with linker peptides) and 36 ps (C-phycocyanin lacking linker peptides) is attributed to efficient energy transfer from sensitizing to fluorescing chromophores. At long detection wavelengths the fa...

  10. FÖRSTER TRANSFER CALCULATIONS BASED ON CRYSTAL STRUCTURE DATA FROM Agmenellum quadruplicatum C-PHYCOCYANIN

    OpenAIRE

    Sauer, Kenneth; Scheer, Hugo; Sauer, Peter

    1987-01-01

    Excitation energy transfer in C-phycocyanin is modeled using the Forster inductive resonance mechanism. Detailed calculations are carried out using coordinates and orientations of the chromophores derived from X-ray crystallographic studies of C-phycocyanin from two different species (Schirmer et al, J. Mol. Biol. 184, 257–277 (1985) and ibid., 188, 651-677 (1986)). Spectral overlap integrals are estimated from absorption and fluorescence spectra of C-phycocyanin of Mastigocladus laminosus an...

  11. Structure and dynamics of interfacial water. Role of hydratation water in the globular proteins dynamics; Structure et dynamique de l`eau interfaciale. Role de l`eau d`hydratation dans la dynamique des proteines globulaires

    Energy Technology Data Exchange (ETDEWEB)

    Zanotti, J.M.

    1997-01-27

    This memoir includes five chapters. In the first chapter, are given the elements of the neutrons scattering theory that is used in this study. the second chapter is devoted to a general presentation of the interaction between biological macro molecule and water. The third part is dedicated to the study of the structure and the dynamics of interfacial water in the neighbouring of model systems, the vycor and the amorphous carbon. The results presented in this part are compared with these one relative to water dynamics at the C-phycocyanin surface. This study makes the object of the fourth chapter. Then, in the fifth and last chapter are discussed the results relative to the role of hydratation on the parv-albumin dynamics for which have been combined the neutron quasi elastic incoherent scattering and the nuclear magnetic resonance of the carbon 13 solid in natural abundance.

  12. Kinetics of energy transfer processes in C-phycocyanin complexes

    Institute of Scientific and Technical Information of China (English)

    赵井泉; 李晔

    1999-01-01

    The antenna system of algae for photosynthesis is a functional entity composed of various phycobiliproteins and the linker polypeptides. Up to now, high-resolution crystal structure data have been available only for the isolated phycobiliproteins. To have an understanding of the functional connection between different phycobiliproteins, it is necessary to study the complexes composed of different phycobiliproteins. The energy transfer processes in C-phycocyanin complexes were studied through computer simulation because it is difficult to be studied by conventional experimental methods. The main pathways of energy flow and the dynamic property of the energy transfer were obtained. A fast transfer process between two neighboring disks was observed through analyzing the distribution curves of excitation energy over time. According to the definition of the time constants for energy transfer in time-resolved spectrum techniques, for a complex with three C-phycoeyanin hexamer disks, a fluorescence-rising comp

  13. Some thermodynamical aspects of protein hydration water

    International Nuclear Information System (INIS)

    We study by means of nuclear magnetic resonance the self-diffusion of protein hydration water at different hydration levels across a large temperature range that includes the deeply supercooled regime. Starting with a single hydration shell (h = 0.3), we consider different hydrations up to h = 0.65. Our experimental evidence indicates that two phenomena play a significant role in the dynamics of protein hydration water: (i) the measured fragile-to-strong dynamic crossover temperature is unaffected by the hydration level and (ii) the first hydration shell remains liquid at all hydrations, even at the lowest temperature

  14. Some thermodynamical aspects of protein hydration water

    Energy Technology Data Exchange (ETDEWEB)

    Mallamace, Francesco, E-mail: francesco.mallamace@unime.it [Dipartimento di Fisica e Scienze della Terra, Università di Messina and CNISM, I-98168 Messina (Italy); Department of Nuclear Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Center for Polymer Studies and Department of Physics, Boston University, Boston, Massachusetts 02215 (United States); Corsaro, Carmelo [Dipartimento di Fisica e Scienze della Terra, Università di Messina and CNISM, I-98168 Messina (Italy); CNR-IPCF, Viale F. Stagno D’Alcontres 37, I-98158 Messina (Italy); Mallamace, Domenico [Dipartimento SASTAS, Università di Messina, I-98166 Messina (Italy); Vasi, Sebastiano [Dipartimento di Fisica e Scienze della Terra, Università di Messina and CNISM, I-98168 Messina (Italy); Vasi, Cirino [CNR-IPCF, Viale F. Stagno D’Alcontres 37, I-98158 Messina (Italy); Stanley, H. Eugene [Center for Polymer Studies and Department of Physics, Boston University, Boston, Massachusetts 02215 (United States); Chen, Sow-Hsin [Department of Nuclear Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States)

    2015-06-07

    We study by means of nuclear magnetic resonance the self-diffusion of protein hydration water at different hydration levels across a large temperature range that includes the deeply supercooled regime. Starting with a single hydration shell (h = 0.3), we consider different hydrations up to h = 0.65. Our experimental evidence indicates that two phenomena play a significant role in the dynamics of protein hydration water: (i) the measured fragile-to-strong dynamic crossover temperature is unaffected by the hydration level and (ii) the first hydration shell remains liquid at all hydrations, even at the lowest temperature.

  15. C-phycocyanin attenuates cisplatin-induced nephrotoxicity in mice.

    Science.gov (United States)

    Lim, Beom Jin; Jeong, Jin Young; Chang, Yoon-Kyung; Na, Ki-Ryang; Lee, Kang Wook; Shin, Young-Tai; Choi, Dae Eun

    2012-01-01

    Although cisplatin is a highly effective antineoplastic agent, nephrotoxicity is its major clinical problem. Recently, it was reported that Spirulina, a blue-green algae, has potent antioxidant properties. The aim of this study was to establish the possible protective role of C-phycocyanin (PC), one of the active ingredients of Spirulina, against cisplatin-induced nephrotoxicity. This study was carried out using human kidney-2 (HK-2) cells and male C57BL6 mice. Cells and mice were divided into four groups; untreated control group, PC-treated control group, cisplatin-treated group, and PC plus cisplatin-treated group. The molecular, functional, and structural parameters were measured. PC significantly attenuated blood urea nitrogen, serum creatinine, renal histological damages, and apoptotic cell death in cisplatin-treated mice. The cisplatin-induced cell death was significantly attenuated in cells pretreated with PC. PC also significantly attenuated the elevation of p-ERK, p-JNK, and p-p38 induced by cisplatin treatment. The expression of Bax, caspase-9, and caspase-3 in cisplatin-treated cells were also decreased by PC treatment. In conclusion, PC ameliorates cisplatin-induced nephrotoxicity and, at least in part, suppression of p-ERK, p-JNK, p-p38, Bax, caspase-9, and caspase-3 may be involved in this mechanism. PMID:22681485

  16. Antitumor activity of C-phycocyanin from Arthronema africanum (Cyanophyceae

    Directory of Open Access Journals (Sweden)

    Elena Gardeva

    2014-10-01

    Full Text Available Pure C-phycocyanin (C-PC was isolated from Arthronema africanumto evaluate its potential antitumor effects in vivo and in vitro. Experimental myeloid Graffi tumor in hamsters was used as a model. The cell proliferation assay showed that C-PC treatment, at concentration of 100 µg mL-1 for 24 h, significantly inhibited the growth of Graffi tumor cells (51.4% viability. Agarose gel electrophoresis of the genomic DNA of treated cells displayed time-and concentration-dependent fragmentation pattern, typical for apoptosis. Apoptotic process was related to the increase in cellular manganese and copper/zinc superoxide dismutases and glutathione reductase activities, coupled with a low catalase activity. In vivo C-PC administration (5.0 mg kg-1 body weight suppressed the tumor transplantability and growth, while the mean survival time of the tumor-bearing hamsters was increased. The results revealed promising antitumor activities of A. africanum C-PC and suggested the potential of this natural biliprotein pigment for future pharmacological and medical applications. The study provided new data on the mechanism of the C-PC induced apoptosis in which the imbalance of antioxidant enzymes that favoured hydrogen peroxide accumulation might play a leading role.

  17. Medical Application of Spirulina platensis Derived C-Phycocyanin.

    Science.gov (United States)

    Liu, Qian; Huang, Yinghong; Zhang, Ronghua; Cai, Tiange; Cai, Yu

    2016-01-01

    Along with the development of marine biological pharmaceutical research, high-effective and low-toxic drugs and functional foods isolated from marine organisms have become a new field of pharmacy and bromatology. The pharmacological actions, such as anti-inflammation, antioxidation, antitumor, immunological enhancement, and hepatorenal protection of C-phycocyanin (C-PC) from Spirulina platensis, have been reported, and C-PC has important value of development and utilization either as drug or as functional food. There are many researches about the various pharmacological actions and mechanisms of C-PC, but related reports are only to some extent integrated deeply and accurately enough, which put some limitations to the further application of C-PC in medicine. Particularly, with the improvement of living standards and attention to health issues, C-PC being a functional food is preferred by more and more people. C-PC is easy to get, safe, and nontoxic; thus, it has a great potential of research and development as a drug or functional food. Here, the separation and purification, physicochemical properties, physiological and pharmacological activities, safety, and some applications are reviewed to provide relevant basis for the development of natural medicine and applied products. PMID:27293463

  18. Medical Application of Spirulina platensis Derived C-Phycocyanin

    Directory of Open Access Journals (Sweden)

    Qian Liu

    2016-01-01

    Full Text Available Along with the development of marine biological pharmaceutical research, high-effective and low-toxic drugs and functional foods isolated from marine organisms have become a new field of pharmacy and bromatology. The pharmacological actions, such as anti-inflammation, antioxidation, antitumor, immunological enhancement, and hepatorenal protection of C-phycocyanin (C-PC from Spirulina platensis, have been reported, and C-PC has important value of development and utilization either as drug or as functional food. There are many researches about the various pharmacological actions and mechanisms of C-PC, but related reports are only to some extent integrated deeply and accurately enough, which put some limitations to the further application of C-PC in medicine. Particularly, with the improvement of living standards and attention to health issues, C-PC being a functional food is preferred by more and more people. C-PC is easy to get, safe, and nontoxic; thus, it has a great potential of research and development as a drug or functional food. Here, the separation and purification, physicochemical properties, physiological and pharmacological activities, safety, and some applications are reviewed to provide relevant basis for the development of natural medicine and applied products.

  19. Kinetics and adsorption isotherm of C-phycocyanin from Spirulina platensis on ion-exchange resins

    OpenAIRE

    Sala, L; F. S. Figueira; G. P. Cerveira; C. C. Moraes; S. J. Kalil

    2014-01-01

    C-phycocyanin is a natural blue dye extracted from Spirulina platensis, which has many applications in the food and pharmaceutical industries. In this paper the effect of pH and temperature on the adsorption of C-phycocyanin onto two different ion exchange resins (Streamline DEAE and Streamline Q XL) for expanded bed adsorption chromatography was investigated. Moreover, the kinetics and adsorption isotherm were evaluated. The equilibrium for the Q XL matrix was reached after 60 min, while for...

  20. Separation of water through gas hydrate formation

    DEFF Research Database (Denmark)

    Boch Andersen, Torben; Thomsen, Kaj

    2009-01-01

    Gas hydrate is normally recognized as a troublemaker in the oil and gas industry. However, gas hydrate has some interesting possibilities when used in connection with separation of water. Nordic Sugar has investigated the possibility of using gas hydrates for concentration of sugar juice. The goa...... of large volumes and the needs for high pressure. The process could be interesting for concentration of heat sensitive, high value products......Gas hydrate is normally recognized as a troublemaker in the oil and gas industry. However, gas hydrate has some interesting possibilities when used in connection with separation of water. Nordic Sugar has investigated the possibility of using gas hydrates for concentration of sugar juice. The goal...... of the project was to formulate an alternative separation concept, which can replace the traditional water evaporation process in the sugar production. Work with the separation concept showed that gas hydrates can be used for water separation. The process is not suitable for sugar production because...

  1. Single step aqueous two-phase extraction for downstream processing of C-phycocyanin from Spirulina platensis

    OpenAIRE

    Chethana, S.; Nayak, Chetan A.; M.C. Madhusudhan; Raghavarao, K. S. M. S.

    2014-01-01

    C-phycocyanin, a natural food colorant, is gaining importance worldwide due to its several medical and pharmaceutical applications. In the present study, aqueous two-phase extraction was shown to be an attractive alternative for the downstream processing of C-phycocyanin from Spirulina platensis. By employing differential partitioning, C-phycocyanin selectively partitioned to the polymer rich (top) phase in concentrated form and contaminant proteins to the salt rich (bottom) phase. This resul...

  2. Kinetics and adsorption isotherm of C-phycocyanin from Spirulina platensis on ion-exchange resins

    Directory of Open Access Journals (Sweden)

    L. Sala

    2014-12-01

    Full Text Available C-phycocyanin is a natural blue dye extracted from Spirulina platensis, which has many applications in the food and pharmaceutical industries. In this paper the effect of pH and temperature on the adsorption of C-phycocyanin onto two different ion exchange resins (Streamline DEAE and Streamline Q XL for expanded bed adsorption chromatography was investigated. Moreover, the kinetics and adsorption isotherm were evaluated. The equilibrium for the Q XL matrix was reached after 60 min, while for DEAE it was only reached after 140 min. C-phycocyanin showed the highest partition coefficient at pH 7.5 for both resins at 25 ºC. The C-phycocyanin adsorption isotherm was very well represented by the Langmuir, Freundlich and Langmuir-Freundlich models, where the estimated values for Qm and Kd obtained by the Langmuir isotherm were, respectively, 33.92 mg.mL-1 and 0.123 mg.mL-1 for DEAE, and 28.12 mg.mL-1 and 0.082 mg.mL-1 for the Q XL matrix. A negative cooperativity was observed for C-phycocyanin binding when the Q XL matrix was used, while the cooperativity was purely independent using the DEAE matrix.

  3. Hydration water and microstructure in calcium silicate and aluminate hydrates

    International Nuclear Information System (INIS)

    Understanding the state of the hydration water and the microstructure development in a cement paste is likely to be the key for the improvement of its ultimate strength and durability. In order to distinguish and characterize the reacted and unreacted water, the single-particle dynamics of water molecules in hydrated calcium silicates (C3S, C2S) and aluminates (C3A, C4AF) were studied by quasi-elastic neutron scattering, QENS. The time evolution of the immobile fraction represents the hydration kinetics and the mobile fraction follows a non-Debye relaxation. Less sophisticated, but more accessible and cheaper techniques, like differential scanning calorimetry, DSC, and near-infrared spectroscopy, NIR, were validated through QENS results and they allow one to easily and quantitatively follow the cement hydration kinetics and can be widely applied on a laboratory scale to understand the effect of additives (i.e., superplasticizers, cellulosic derivatives, etc) on the thermodynamics of the hydration process. DSC provides information on the free water index and on the activation energy involved in the hydration process while the NIR band at 7000 cm-1 monitors, at a molecular level, the increase of the surface-interacting water. We report as an example the effect of two classes of additives widely used in the cement industry: superplasticizers, SPs, and cellulose derivatives. SPs interact at the solid surface, leading to a consistent increment of the activation energy for the processes of nucleation and growth of the hydrated phases. In contrast, the cellulosic additives do not affect the nucleation and growth activation energy, but cause a significant increment in the water availability: in other words the hydration process is more efficient without any modification of the solid/liquid interaction, as also evidenced by the 1H-NMR. Additional information is obtained by scanning electron microscopy (SEM), ultra small angle neutron scattering (USANS) and wide angle x

  4. Vanishing amplitude of backbone dynamics causes a true protein dynamical transition: H2 NMR studies on perdeuterated C-phycocyanin

    Science.gov (United States)

    Kämpf, Kerstin; Kremmling, Beke; Vogel, Michael

    2014-03-01

    Using a combination of H2 nuclear magnetic resonance (NMR) methods, we study internal rotational dynamics of the perdeuterated protein C-phycocyanin (CPC) in dry and hydrated states over broad temperature and dynamic ranges with high angular resolution. Separating H2 NMR signals from methyl deuterons, we show that basically all backbone deuterons exhibit highly restricted motion occurring on time scales faster than microseconds. The amplitude of this motion increases when a hydration shell exists, while it decreases upon cooling and vanishes near 175 K. We conclude that the vanishing of the highly restricted motion marks a dynamical transition, which is independent of the time window and of a fundamental importance. This conclusion is supported by results from experimental and computational studies of the proteins myoglobin and elastin. In particular, we argue based on findings in molecular dynamics simulations that the behavior of the highly restricted motion of proteins at the dynamical transition resembles that of a characteristic secondary relaxation of liquids at the glass transition, namely the nearly constant loss. Furthermore, H2 NMR studies on perdeuterated CPC reveal that, in addition to highly restricted motion, small fractions of backbone segments exhibit weakly restricted dynamics when temperature and hydration are sufficiently high.

  5. Picosecond time-resolved energy transfer within C-phycocyanin aggregates of Mastigocladus laminosus

    OpenAIRE

    Sandström, A.; Gillbro, T; Sundström, V.; Fischer, R.; Scheer, Hugo

    1988-01-01

    We have investigated by picosecond absorption experiments how the size of C-phycocyanin aggregates from Mastigocladus laminosus influences the excitation energy transfer kinetics. Going from C-phycocyanin monomers to trimers the lifetime of the faster energy transfer component decreased from 57 ± 4 to 27 ± 4 ps over most of the wavelength range (580–645 nm) studied. This change was interpreted as the opening of fast transfer channels (α-84 → β-84 and/or β-84 → β-84) between two adjacent monom...

  6. Site-selective spectroscopy and level ordering in C-phycocyanine

    Science.gov (United States)

    Köhler, W.; Friedrich, J.; Fischer, R.; Scheer, H.

    1988-01-01

    We present a combined fluorescence and hole-burning study of the biliprotein C-phycocyanin. Sharp zero-phonon holes compare with a broad structureless fluorescence. This finding is rationalized in terms of the special level structure in this pigment, the fast energy-transfer processes and a lack of correlation of the energies of the emissive states.

  7. Site-selective spectroscopy and level ordering in C-phycocyanin

    OpenAIRE

    Köhler, W.; Friedrich, J; Fischer, R.; Scheer, Hugo

    1988-01-01

    We present a combined fluorescence and hole-burning study of the biliprotein C-phycocyanin. Sharp zero-phonon holes compare with a broad structureless fluorescence. This finding is rationalized in terms of the special level structure in this pigment, the fast energy-transfer processes and a lack of correlation of the energies of the emissive states.

  8. Strategy for a protein purification design using C-phycocyanin extract.

    Science.gov (United States)

    Moraes, Caroline Costa; Kalil, Susana Juliano

    2009-11-01

    A variety of techniques have been developed for the separation and recovery of proteins. The cost of purifying the product is frequently determined by the desired quality of the final product, which is evaluated by measuring the purity. In this work the design of a protein purification process for C-phycocyanin, a phycobiliprotein that can be used in the food and medical industries, was established. The study evaluated the use of ammonium sulfate precipitation, ion exchange chromatography and gel filtration to purify C-phycocyanin in a variety of sequences. The final design included the C-phycocyanin extraction step, precipitation with ammonium sulfate and ion exchange chromatography. When the elution step was studied, the kind of elution and pH were considered in order to obtain a product with a final purity of 4.0 with a purification factor of 6.35, so that, at the end of the strategy, C-phycocyanin of analytical grade would be obtained. PMID:19523818

  9. Vibrational dynamics of hydration water in amylose

    CERN Document Server

    Cavatorta, F; Albanese, G; Angelini, N

    2002-01-01

    We present a study of the dynamical properties of hydration water associated with amylose helices, based on low-temperature vibrational spectra collected using the TOSCA inelastic spectrometer at ISIS. The structural constraints of the polysaccharidic chains favour the formation of a high-density structure for water, which has been suggested by Imberty and Perez on the basis of conformational analysis. According to this model, hydration water can only enter the pores formed by six adjacent helices and completely fills the pores at a hydration level of about 0.27-g water/g dry amylose. Our measurements show that the dynamical behaviour of hydration water is similar to that observed in high-density amorphous ice. (orig.)

  10. Fed-batch strategy for enhancing cell growth and C-phycocyanin production of Arthrospira (Spirulina) platensis under phototrophic cultivation.

    Science.gov (United States)

    Xie, Youping; Jin, Yiwen; Zeng, Xianhai; Chen, Jianfeng; Lu, Yinghua; Jing, Keju

    2015-03-01

    The C-phycocyanin generated in blue-green algae Arthrospira platensis is gaining commercial interest due to its nutrition and healthcare value. In this study, the light intensity and initial biomass concentration were manipulated to improve cell growth and C-phycocyanin production of A.platensis in batch cultivation. The results show that low light intensity and high initial biomass concentration led to increased C-phycocyanin accumulation. The best C-phycocyanin productivity occurred when light intensity and initial biomass concentration were 300μmol/m(2)/s and 0.24g/L, respectively. The fed-batch cultivation proved to be an effective strategy to further enhance C-phycocyanin production of A.platensis. The results indicate that C-phycocyanin accumulation not only requires nitrogen-sufficient condition, but also needs other nutrients. The highest C-phycocyanin content (16.1%), production (1034mg/L) and productivity (94.8mg/L/d) were obtained when using fed-batch strategy with 5mM medium feeding. PMID:25618497

  11. X-ray crystallographic studies on C-phycocyanins from cyanobacteria from different habitats: marine and freshwater

    OpenAIRE

    Satyanarayana, L.; Suresh, C. G.; Patel, Anamika; Mishra, Sandhya; Ghosh, Pushpito Kumar

    2005-01-01

    The protein C-phycocyanin, involved in photosynthesis, has been purified from three cyanobacterial species: Spirulina, Phormidium and Lyngbya. These three proteins have been crystallized and characterized using X-ray crystallography.

  12. Chromopeptides from C-phycocyanin. Structure and linkage of a phycocyanobilin bound to the β subunit

    International Nuclear Information System (INIS)

    The smallest cyanogen bromide fragment derived from the β subunit of Synechococcus sp. 6301 C-phycocyanin, the blue heptapeptide 2, has been investigated by 360-MHz 1H NMR spectroscopy. The peptide portion, heptapeptide 3, was synthesized independently and used in comparative spectroscopic analysis. These studies have led to complete assignment of the structure of the peptide-linked phycocyanobilin and elucidation of the nature of the thioether chromophore-peptide linkage

  13. Interacion of Heavy Metal Ions with C-Phycocyanin: Binding Isotherms and Cooperative Effects

    OpenAIRE

    Gelagutashvili, Eteri

    2007-01-01

    The binding constant of copper(II) ions to C-PC were determined at different ionic strengths from binding isotherms by equilibrium dialysis and flame atomic absorption spectroscopy. Fluorescence and absorbtion spectroscopy provides insight of metal-C-phycocyanin interactions. Fluorescence measurements demonstrate C-PC quenching of heavy metal ions emission intensities. Stern-Volmer quenching constants were obtained from the linear quenching plots. Blue shifts in the fluorescence spectra were ...

  14. High-Resolution Optical Studies on C-Phycocyanin via Photochemical Hole Burning

    OpenAIRE

    Friedrich, J; Scheer, Hugo; Zickendraht-Wendelstadt, Barbara; Haarer, D.

    1981-01-01

    We have shown that both the native C-phycocyanin and its corresponding free biline chromophore undergo reversible, low-temperature photochemistry. We attribute this photochemistry to reversible proton-transfer processes and utilize the observed photoreaction for photochemical hole burning (PHB). Using narrow-band PHB experiments, we have been able to perform high-resolution optical studies and show that the protein-chromophore assembly forms a very rigid structure. The results lead to the ...

  15. Tyrosinase-catalyzed site-specific immobilization of engineered C-phycocyanin to surface

    OpenAIRE

    Faccio, Greta; Kämpf, Michael M.; Piatti, Chiara; Thöny-Meyer, Linda; Richter, Michael

    2014-01-01

    Enzymatic crosslinking of proteins is often limited by the steric availability of the target residues, as of tyrosyl side chains in the case of tyrosinase. Carrying an N-terminal peptide-tag containing two tyrosine residues, the fluorescent protein C-phycocyanin HisCPC from Synechocystis sp. PCC6803 was crosslinked to fluorescent high-molecular weight forms with tyrosinase. Crosslinking with tyrosinase in the presence of L-tyrosine produced non fluorescent high-molecular weight products. Incu...

  16. Recent Developments in Production and Biotechnological Applications of C-Phycocyanin

    OpenAIRE

    M. Kuddus; Singh, P; Thomas, G.; Awdah Al-Hazimi

    2013-01-01

    An extensive range of pigments including phycobiliproteins are present in algae. C-phycocyanin (C-PC), a phycobiliprotein, is one of the key pigments of Spirulina, a microalgae used in many countries as a dietary supplement. Algal pigments have massive commercial value as natural colorants in nutraceutical, cosmetics, and pharmaceutical industries, besides their health benefits. At present, increasing awareness of harmful effects of synthetic compounds and inclination of community towards the...

  17. Computer simulation of energy migration in the C-phycocyanin of the blue-green algae Agmenellum Quadruplicatum

    OpenAIRE

    Demidov, Andrey A.; Borisov, Alexander Yu.

    1993-01-01

    Two methods for simulation of energy migration in the C-phycocyanin fragments of PBS were developed. Both methods are based on the statistical analysis of an excitation behavior in modeling complexes with a limited number (up to hundreds) of chromophores using the Monte-Carlo approach and calculation of migration rates for the system of linear balance equations. Energy migration rates were calculated in the case of C-phycocyanin of the blue-green algae Agmenellum quadruplicatum. The main chan...

  18. X-ray crystallographic studies on C-phycocyanins from cyanobacteria from different habitats: marine and freshwater

    International Nuclear Information System (INIS)

    The protein C-phycocyanin, involved in photosynthesis, has been purified from three cyanobacterial species: Spirulina, Phormidium and Lyngbya. These three proteins have been crystallized and characterized using X-ray crystallography. C-phycocyanins from three cyanobacterial cultures of freshwater and marine habitat, Spirulina, Phormidium and Lyngbya spp., were purified to homogeneity and crystallized using the hanging-drop vapour-diffusion method. Blue-coloured crystals in different crystal forms, monoclinic and hexagonal, were obtained for the three species. The crystals took 1–12 weeks to grow to full size using polyethylene glycols of different molecular weights as precipitants. The amino-acid sequences of these proteins show high similarity to other known C-phycocyanins from related organisms; however, the C-phycocyanins reported here showed different biochemical and biophysical properties, i.e. molecular weight, stability etc. The X-ray diffraction data were collected at resolutions of 3.0 Å for the monoclinic and 3.2 and 3.6 Å for the hexagonal forms. The unit-cell parameters corresponding to the monoclinic space group P21 are a = 107.33, b = 115.64, c = 183.26 Å, β = 90.03° for Spirulina sp. C-phycocyanin and are similar for crystals of Phormidium and Lyngbya spp. C-phycocyanins. Crystals belonging to the hexagonal space group P63, with unit-cell parameters a = b = 154.97, c = 40.35 Å and a = b = 151.96, c = 39.06 Å, were also obtained for the C-phycocyanins from Spirulina and Lyngbya spp., respectively. The estimated solvent content is around 50% for the monoclinic crystals of all three species assuming the presence of two hexamers per asymmetric unit. The solvent content is 66.5 and 64.1% for the hexagonal crystals of C-phycocyanin from Spirulina and Lyngbya spp. assuming the presence of one αβ monomer per asymmetric unit

  19. Separation of water through gas hydrate formation

    DEFF Research Database (Denmark)

    Boch Andersen, Torben; Thomsen, Kaj

    2009-01-01

    of the project was to formulate an alternative separation concept, which can replace the traditional water evaporation process in the sugar production. Work with the separation concept showed that gas hydrates can be used for water separation. The process is not suitable for sugar production because...

  20. The effect of hydrate saturation on water retention curves in hydrate-bearing sediments

    Science.gov (United States)

    Mahabadi, Nariman; Zheng, Xianglei; Jang, Jaewon

    2016-05-01

    The experimental measurement of water retention curve in hydrate-bearing sediments is critically important to understand the behavior of hydrate dissociation and gas production. In this study, tetrahydrofuran (THF) is selected as hydrate former. The pore habit of THF hydrates is investigated by visual observation in a transparent micromodel. It is confirmed that THF hydrates are not wetting phase on the quartz surface of the micromodel and occupy either an entire pore or part of pore space resulting in change in pore size distribution. And the measurement of water retention curves in THF hydrate-bearing sediments with hydrate saturation ranging from Sh = 0 to Sh = 0.7 is conducted for excess water condition. The experimental results show that the gas entry pressure and the capillary pressure increase with increasing hydrate saturation. Based on the experimental results, fitting parameters for van Genuchten equation are suggested for different hydrate saturation conditions.

  1. Complex admixtures of clathrate hydrates in a water desalination method

    Science.gov (United States)

    Simmons, Blake A.; Bradshaw, Robert W.; Dedrick, Daniel E.; Anderson, David W.

    2009-07-14

    Disclosed is a method that achieves water desalination by utilizing and optimizing clathrate hydrate phenomena. Clathrate hydrates are crystalline compounds of gas and water that desalinate water by excluding salt molecules during crystallization. Contacting a hydrate forming gaseous species with water will spontaneously form hydrates at specific temperatures and pressures through the extraction of water molecules from the bulk phase followed by crystallite nucleation. Subsequent dissociation of pure hydrates yields fresh water and, if operated correctly, allows the hydrate-forming gas to be efficiently recycled into the process stream.

  2. Pockmark formation and evolution in deep water Nigeria: Rapid hydrate growth versus slow hydrate dissolution

    Science.gov (United States)

    Sultan, N.; Bohrmann, G.; Ruffine, L.; Pape, T.; Riboulot, V.; Colliat, J.-L.; De Prunelé, A.; Dennielou, B.; Garziglia, S.; Himmler, T.; Marsset, T.; Peters, C. A.; Rabiu, A.; Wei, J.

    2014-04-01

    In previous works, it has been suggested that dissolution of gas hydrate can be responsible for pockmark formation and evolution in deep water Nigeria. It was shown that those pockmarks which are at different stages of maturation are characterized by a common internal architecture associated to gas hydrate dynamics. New results obtained by drilling into gas hydrate-bearing sediments with the MeBo seafloor drill rig in concert with geotechnical in situ measurements and pore water analyses indicate that pockmark formation and evolution in the study area are mainly controlled by rapid hydrate growth opposed to slow hydrate dissolution. On one hand, positive temperature anomalies, free gas trapped in shallow microfractures near the seafloor and coexistence of free gas and gas hydrate indicate rapid hydrate growth. On the other hand, slow hydrate dissolution is evident by low methane concentrations and almost constant sulfate values 2 m above the Gas Hydrate Occurrence Zone.

  3. The Hydration Equation: Update on Water Balance and Cognitive Performance

    OpenAIRE

    Riebl, Shaun K; Davy, Brenda M.

    2013-01-01

    To become aware of the most practical measures of hydration status.To describe sources of water input and output and the basics of water balance.To understand how hydration status may impact daily cognitive performance.

  4. CD59 Underlines the Antiatherosclerotic Effects of C-Phycocyanin on Mice

    OpenAIRE

    Bing Li; Xian-Ming Chu; Ying-Jie Xu; Fan Yang; Cong-Yi Lv; Shu-min Nie

    2013-01-01

    The effects of C-phycocyanin (C-PC) on atherosclerosis and the regulatory effects of CD59 gene on anti-atherosclerotic roles of C-PC were investigated. Apolipoprotein E knockout (ApoE(−/−)) mice were randomly divided into four groups: control group, C-PC treatment group, CD59 transfection group and C-PC+CD59 synergy group. The mice were fed with high-fat-diet and treated with drug intervention at the same time. Results showed the atherosclerotic mouse model was successfully established. CD59 ...

  5. Interacion of Heavy Metal Ions with C-Phycocyanin: Binding Isotherms and Cooperative Effects

    CERN Document Server

    Gelagutashvili, Eteri

    2007-01-01

    The binding constant of copper(II) ions to C-PC were determined at different ionic strengths from binding isotherms by equilibrium dialysis and flame atomic absorption spectroscopy. Fluorescence and absorbtion spectroscopy provides insight of metal-C-phycocyanin interactions. Fluorescence measurements demonstrate C-PC quenching of heavy metal ions emission intensities. Stern-Volmer quenching constants were obtained from the linear quenching plots. Blue shifts in the fluorescence spectra were observed during metal binding to C-PC. It was shown, that between bound metal ions in C-PC there exists positive cooperativity.

  6. Single step aqueous two-phase extraction for downstream processing of C-phycocyanin from Spirulina platensis.

    Science.gov (United States)

    Chethana, S; Nayak, Chetan A; Madhusudhan, M C; Raghavarao, K S M S

    2015-04-01

    C-phycocyanin, a natural food colorant, is gaining importance worldwide due to its several medical and pharmaceutical applications. In the present study, aqueous two-phase extraction was shown to be an attractive alternative for the downstream processing of C-phycocyanin from Spirulina platensis. By employing differential partitioning, C-phycocyanin selectively partitioned to the polymer rich (top) phase in concentrated form and contaminant proteins to the salt rich (bottom) phase. This resulted in an increase in the product purity (without losing much of the yield) in a single step without the need of multiple processing steps. Effect of process parameters such as molecular weight, tie line length, phase volume ratio, concentration of phase components on the partitioning behavior of C-phycocyanin was studied. The results were explained based on relative free volume of the phase systems. C-phycocyanin with a purity of 4.32 and yield of about 79 % was obtained at the standardized conditions. PMID:25829627

  7. Waters of Hydration of Cupric Hydrates: A Comparison between Heating and Absorbance Methods

    Science.gov (United States)

    Barlag, Rebecca; Nyasulu, Frazier

    2011-01-01

    The empirical formulas of four cupric hydrates are determined by measuring the absorbance in aqueous solution. The Beer-Lambert Law is verified by constructing a calibration curve of absorbance versus known Cu[superscript 2+](aq) concentration. A solution of the unknown hydrate is prepared by using 0.2-0.3 g of hydrate, and water is added such…

  8. Effects of C-phycocyanin and Spirulina on salicylate-induced tinnitus, expression of NMDA receptor and inflammatory genes.

    Directory of Open Access Journals (Sweden)

    Juen-Haur Hwang

    Full Text Available Effects of C-phycocyanin (C-PC, the active component of Spirulina platensis water extract on the expressions of N-methyl D-aspartate receptor subunit 2B (NR2B, tumor necrosis factor-α (TNF-α, interleukin-1β (IL-1β, and cyclooxygenase type 2 (COX-2 genes in the cochlea and inferior colliculus (IC of mice were evaluated after tinnitus was induced by intraperitoneal injection of salicylate. The results showed that 4-day salicylate treatment (unlike 4-day saline treatment caused a significant increase in NR2B, TNF-α, and IL-1β mRNAs expression in the cochlea and IC. On the other hand, dietary supplementation with C-PC or Spirulina platensis water extract significantly reduced the salicylate-induced tinnitus and down-regulated the mRNAs expression of NR2B, TNF-α, IL-1β mRNAs, and COX-2 genes in the cochlea and IC of mice. The changes of protein expression levels were generally correlated with those of mRNAs expression levels in the IC for above genes.

  9. X-ray crystallographic studies on C-phycocyanins from cyanobacteria from different habitats: marine and freshwater

    Energy Technology Data Exchange (ETDEWEB)

    Satyanarayana, L.; Suresh, C. G., E-mail: cgsuresh@ncl.res.in [Division of Biochemical Sciences, National Chemical Laboratory, Pune 411008, Maharashtra (India); Patel, Anamika; Mishra, Sandhya, E-mail: cgsuresh@ncl.res.in; Ghosh, Pushpito Kumar [Central Salt and Marine Chemicals Research Institute, G. B. Marg, Bhavnagar 364002, Gujarat (India); Division of Biochemical Sciences, National Chemical Laboratory, Pune 411008, Maharashtra (India)

    2005-09-01

    The protein C-phycocyanin, involved in photosynthesis, has been purified from three cyanobacterial species: Spirulina, Phormidium and Lyngbya. These three proteins have been crystallized and characterized using X-ray crystallography. C-phycocyanins from three cyanobacterial cultures of freshwater and marine habitat, Spirulina, Phormidium and Lyngbya spp., were purified to homogeneity and crystallized using the hanging-drop vapour-diffusion method. Blue-coloured crystals in different crystal forms, monoclinic and hexagonal, were obtained for the three species. The crystals took 1–12 weeks to grow to full size using polyethylene glycols of different molecular weights as precipitants. The amino-acid sequences of these proteins show high similarity to other known C-phycocyanins from related organisms; however, the C-phycocyanins reported here showed different biochemical and biophysical properties, i.e. molecular weight, stability etc. The X-ray diffraction data were collected at resolutions of 3.0 Å for the monoclinic and 3.2 and 3.6 Å for the hexagonal forms. The unit-cell parameters corresponding to the monoclinic space group P2{sub 1} are a = 107.33, b = 115.64, c = 183.26 Å, β = 90.03° for Spirulina sp. C-phycocyanin and are similar for crystals of Phormidium and Lyngbya spp. C-phycocyanins. Crystals belonging to the hexagonal space group P6{sub 3}, with unit-cell parameters a = b = 154.97, c = 40.35 Å and a = b = 151.96, c = 39.06 Å, were also obtained for the C-phycocyanins from Spirulina and Lyngbya spp., respectively. The estimated solvent content is around 50% for the monoclinic crystals of all three species assuming the presence of two hexamers per asymmetric unit. The solvent content is 66.5 and 64.1% for the hexagonal crystals of C-phycocyanin from Spirulina and Lyngbya spp. assuming the presence of one αβ monomer per asymmetric unit.

  10. Pockmark formation and evolution in deep water Nigeria: Rapid hydrate growth versus slow hydrate dissolution

    OpenAIRE

    Sultan, Nabil; Bohrmann, G.; Ruffine, Livio; Pape, T.; Riboulot, Vincent; Colliat, J. -l.; De Prunele, Alexis; Dennielou, Bernard; Garziglia, Sebastien; Himmler, Tobias; Marsset, Tania; Peters, C. A.; Rabiu, A.; J. Wei

    2014-01-01

    In previous works, it has been suggested that dissolution of gas hydrate can be responsible for pockmark formation and evolution in deep water Nigeria. It was shown that those pockmarks which are at different stages of maturation are characterized by a common internal architecture associated to gas hydrate dynamics. New results obtained by drilling into gas hydrate-bearing sediments with the MeBo seafloor drill rig in concert with geotechnical in situ measurements and pore water analyses indi...

  11. Methane hydrate dissociation using inverted five-spot water flooding method in cubic hydrate simulator

    International Nuclear Information System (INIS)

    The combination forms of the hydrate dissociation methods in different well systems are divided into 6 main patterns. Dissociation processes of methane hydrate in porous media using the inverted five-spot water flooding method (Pattern 4) are investigated by the experimental observation and numerical simulation. In situ methane hydrate is synthesized in the Cubic Hydrate Simulator (CHS), a 5.832-L cubic reactor. A center vertical well is used as the hot water injection well, while the four vertical wells at the corner are the gas and water production wells. The gas production begins simultaneously with the hot water injection, while after approximately 20 min of compression, the water begins to be produced. One of the common characteristics of the inverted five-spot water flooding method is that both the gas and water production rates decrease with the reduction of the hydrate dissociation rate. The evaluation of the energy efficiency ratio might indicate the inverted five-spot water flooding as a promising gas producing method from the hydrate reservoir. - Highlights: • A three-dimensional 5.8-L cubic pressure vessel is developed. • Gas production of hydrate using inverted five-spot flooding method is studied. • Water/gas production rate and energy efficiency ratio are evaluated. • Temperature distributions of numerical simulation and experiment agree well. • Hydrate dissociation process is a moving boundary problem in this study

  12. Application of various water soluble polymers in gas hydrate inhibition

    DEFF Research Database (Denmark)

    Kamal, Muhammad Shahzad; Hussein, Ibnelwaleed A.; Sultan, Abdullah S.;

    2016-01-01

    Formation of hydrates in gas transmission lines due to high pressures and low temperatures is a serious problem in the oil and gas industry with potential hazards and/or economic losses. Kinetic hydrate inhibitors are water soluble polymeric compounds that prevent or delay hydrate formation. This...

  13. Recent developments in production and biotechnological applications of C-phycocyanin.

    Science.gov (United States)

    Kuddus, M; Singh, P; Thomas, G; Al-Hazimi, Awdah

    2013-01-01

    An extensive range of pigments including phycobiliproteins are present in algae. C-phycocyanin (C-PC), a phycobiliprotein, is one of the key pigments of Spirulina, a microalgae used in many countries as a dietary supplement. Algal pigments have massive commercial value as natural colorants in nutraceutical, cosmetics, and pharmaceutical industries, besides their health benefits. At present, increasing awareness of harmful effects of synthetic compounds and inclination of community towards the usage of natural products have led to the exploitation of microalgae as a source of natural pigments/colors. This review describes recent findings about the sources and production of C-PC, with emphasis on specific techniques for extraction and purification, along with potential industrial applications in diagnostics, foods, cosmetics, and pharmaceutical industries. PMID:24063013

  14. Tyrosinase-catalyzed site-specific immobilization of engineered C-phycocyanin to surface

    Science.gov (United States)

    Faccio, Greta; Kämpf, Michael M.; Piatti, Chiara; Thöny-Meyer, Linda; Richter, Michael

    2014-06-01

    Enzymatic crosslinking of proteins is often limited by the steric availability of the target residues, as of tyrosyl side chains in the case of tyrosinase. Carrying an N-terminal peptide-tag containing two tyrosine residues, the fluorescent protein C-phycocyanin HisCPC from Synechocystis sp. PCC6803 was crosslinked to fluorescent high-molecular weight forms with tyrosinase. Crosslinking with tyrosinase in the presence of L-tyrosine produced non fluorescent high-molecular weight products. Incubated in the presence of tyrosinase, HisCPC could also be immobilized to amino-modified polystyrene beads thus conferring a blue fluorescence. Crosslinking and immobilization were site-specific as both processes required the presence of the N-terminal peptide in HisCPC.

  15. Recent Developments in Production and Biotechnological Applications of C-Phycocyanin

    Directory of Open Access Journals (Sweden)

    M. Kuddus

    2013-01-01

    Full Text Available An extensive range of pigments including phycobiliproteins are present in algae. C-phycocyanin (C-PC, a phycobiliprotein, is one of the key pigments of Spirulina, a microalgae used in many countries as a dietary supplement. Algal pigments have massive commercial value as natural colorants in nutraceutical, cosmetics, and pharmaceutical industries, besides their health benefits. At present, increasing awareness of harmful effects of synthetic compounds and inclination of community towards the usage of natural products have led to the exploitation of microalgae as a source of natural pigments/colors. This review describes recent findings about the sources and production of C-PC, with emphasis on specific techniques for extraction and purification, along with potential industrial applications in diagnostics, foods, cosmetics, and pharmaceutical industries.

  16. Protective effects of C-phycocyanin on alcohol-induced acute liver injury in mice

    Science.gov (United States)

    Xia, Dong; Liu, Bing; Luan, Xiying; Sun, Junyan; Liu, Nana; Qin, Song; Du, Zhenning

    2016-03-01

    Excessive alcohol consumption leads to liver disease. Extensive evidence suggests that C-phycocyanin (C-PC), a chromophore phycocyanobilin derived from Spirulina platensis, exerts protective effects against chemical-induced organ damage. In this study, we investigated whether C-PC could protect against ethanol-induced acute liver injury. Serum alanine aminotransferase (ALT), aspartate aminotransferase (AST), triglyceride (TG), total cholesterol (CHOL), low-density lipoprotein (LDL), liver homogenate malondialdehyde (MDA), superoxide dismutase (SOD) content were measured, and pathological examination of liver sections were examined. C-PC showed obvious inhibitory effects on serum ALT, AST, TG, CHOL, LDL and MDA, and SOD content significantly increased in the liver. The structure of hepatic lobules was clear, liver sinus returned to normal, and liver cell cords were arranged in neat rows. Cloudiness, swelling, inflammatory cell infiltration and spotty necrosis of liver cells were significantly reduced. Therefore, C-PC can significantly protect against ethanol-induced acute liver injury.

  17. Fluorescence Quenching Property of C-Phycocyanin from Spirulina platensis and its Binding Efficacy with Viable Cell Components.

    Science.gov (United States)

    Paswan, Meenakshi B; Chudasama, Meghna M; Mitra, Madhusree; Bhayani, Khushbu; George, Basil; Chatterjee, Shruti; Mishra, Sandhya

    2016-03-01

    Phycocyanin is a natural brilliant blue colored, fluorescent protein, which is commonly present in cyanobacteria. In this study, C-phycocyanin was extracted and purified from Spirulina platensis, which are multicellular and filamentous cyanobacteria of greater importance because of its various biological and pharmacological potential. It was analyzed for its binding affinity towards blood cells, algal cells, genomic DNA of microalgae, and bacteria at different temperature and incubation time. It showed good binding affinity with these components even at low concentration of 2.5 μM. The purpose of this study was to evaluate the applicability of C-phycocyanin as a green fluorescent dye substituting carcinogenic chemical dyes. PMID:26678758

  18. Purification of C-phycocyanin from Spirulina platensis in aqueous two-phase systems using an experimental design

    OpenAIRE

    Francine Silva Antelo; Jorge Alberto Vieira Costa; Susana Juliano Kalil

    2015-01-01

    C-phycocyanin from Spirulina platensis was purified in aqueous two-phase systems (ATPS) of polyethylene glycol (PEG)/potassium phosphate, varying the molar mass of the PEG. Results using a full factorial design showed that an increase in the concentration of salt and decrease in the concentration of PEG caused an increment in the purification factor for all the ATPS studied. Optimization of the conditions of the purification was studied using a central composite rotatable design for each mola...

  19. C-phycocyanin prevents cisplatin-induced mitochondrial dysfunction and oxidative stress.

    Science.gov (United States)

    Fernández-Rojas, Berenice; Rodríguez-Rangel, Daniela Sarai; Granados-Castro, Luis Fernando; Negrette-Guzmán, Mario; León-Contreras, Juan Carlos; Hernández-Pando, Rogelio; Molina-Jijón, Eduardo; Reyes, José L; Zazueta, Cecilia; Pedraza-Chaverri, José

    2015-08-01

    The potential of C-phycocyanin (C-PC) to prevent cisplatin (CP)-induced kidney mitochondrial dysfunction was determined in CD-1 male mice. The CP-induced mitochondrial dysfunction was characterized by ultrastructural abnormalities and by decrease in the following parameters in isolated kidney mitochondria: adenosine diphosphate (ADP)-induced oxygen consumption (state 3), respiratory control ratio, ADP/oxygen (ADP/O) ratio, adenosine triphosphate synthesis, membrane potential, calcium retention, glutathione (GSH) content, and activity of respiratory complex I, aconitase, catalase, and GSH peroxidase. These mitochondria also showed increase in hydrogen peroxide production, malondialdehyde, and 3-nitrotyrosine protein adducts content. The above-described changes, as well as CP-induced nephrotoxicity, were attenuated in mice pretreated with a single injection of C-PC. Our data suggest that the attenuation of mitochondrial abnormalities is involved in the protective effect of C-PC against CP-induced nephrotoxicity. This is the first demonstration that C-PC pretreatment prevents CP-induced mitochondrial dysfunction in mice. PMID:25971372

  20. The Stability of C-phycocyanin Doped Silica Biomaterials in UV Irradiation

    Institute of Scientific and Technical Information of China (English)

    LI Ye; YANG Hui; CAO Fangming; ZHAO Xiaodong; WANG Jing

    2009-01-01

    The synthesized C-phycocyanins(C-PCs)doped silica biomaterials were charac-terized by the SEM and BET surface area analysis measurement.The morphology of C-PCs doped silica biomaterials indicates that the surface of the silica cluster is formed by a great number of silica particles with an average size of between 30 and 40 nm.Silica itself is a porous structure with the av-erage pore diameter of 2.95 nm.Pores with their diameter less than 5 nm account for 84.07%.In ad-dition,the C-PCs can be utilized as a fluorescent protein probe to monitor influence of the protein encapsulation and to study matrix and protein interaction and stability of protein in silica matrix.Ap-plication of protein encapsulation silica materials requires biomolecules to keep bioactivity and sta-bility on potentially unfavorable industrial conditions.The C-PCs in solution or in silicate matrix ir-radiated by ultraviolet ray can result in photobleaching,whereas the protein in the silica is less affected.The measured photodamage rate constant of C-PCs in buffer solution is 25 times faster than that of C-PCs in silica matrix.However,the lifetime of C-PCs in silica matrix or phosphate buffer is unaf-fected.These studies suggest that entrapment of C-PCs into silica matrixes not only can maintain their biological activity but also noticeably improve their photostability.

  1. Purification of C-phycocyanin from Spirulina platensis in aqueous two-phase systems using an experimental design

    Directory of Open Access Journals (Sweden)

    Francine Silva Antelo

    2015-02-01

    Full Text Available C-phycocyanin from Spirulina platensis was purified in aqueous two-phase systems (ATPS of polyethylene glycol (PEG/potassium phosphate, varying the molar mass of the PEG. Results using a full factorial design showed that an increase in the concentration of salt and decrease in the concentration of PEG caused an increment in the purification factor for all the ATPS studied. Optimization of the conditions of the purification was studied using a central composite rotatable design for each molar mass of PEG. The ATPS composed of 7% (w/w PEG 1500 or 4% (w/w PEG 8000 (g/gmol and 23 or 22.5% (w/w of phosphate resulted a purification factor of 1.6-fold for C-phycocyanin, with total and 57% recovery, respectively. Process conditions were optimized for the purification factor for the system with PEG 1500. The ATPS with 4% (w/w PEG 4000 or 4% (w/w PEG 6000 and 21% (w/w phosphate resulted purification factors of 2.1 and 2.2-fold, recovering 100% and 73.5%, respectively of C-phycocyanin in the top phase.

  2. Development of Predictive Techniques for Estimating Liquid Water-Hydrate Equilibrium of Water-Hydrocarbon System

    OpenAIRE

    Dominique Richon; Mohammadi, Amir H.

    2009-01-01

    In this communication, we review recent studies by these authors for modeling the -H equilibrium. With the aim of estimating the solubility of pure hydrocarbon hydrate former in pure water in equilibrium with gas hydrates, a thermodynamic model is introduced based on equality of water fugacity in the liquid water and hydrate phases. The solid solution theory of Van der Waals-Platteeuw is employed for calculating the fugacity of water in the hydrate phase. The Henry's law approach and the ...

  3. Kinetics of hydrate formation using gas bubble suspended in water

    Institute of Scientific and Technical Information of China (English)

    马昌峰; 陈光进; 郭天民

    2002-01-01

    An innovative experimental technique, which was devised to study the effects of temperature and pressure on the rate of hydrate formation at the surface of a gas bubble suspended in a stagnant water phase, was adapted in this work. Under such conditions, the hydrate-growth process is free from dynamic mass transfer factors. The rate of hydrate formation of methane and carbon dioxide has been systematically studied. The measured hydrate-growth data were correlated by using the molar Gibbs free energy as driving force. In the course of the experiments, some interesting surface phenomena were observed.

  4. Vibronic effects in the spectroscopy and dynamics of C-phycocyanin

    International Nuclear Information System (INIS)

    Femtosecond laser spectroscopies are used to investigate the influence of intramolecular nuclear modes on electronic relaxation in the cyanobacterial light harvesting protein, C-phycocyanin (CPC). Of particular interest are sub-ps dynamics localized on pairs of closely spaced phycocyanobilin pigments (i.e. dimers). Experiments conducted under different polarization conditions are used to distinguish isotropic and anisotropic vibrational modes within the dimers. Two isotropic nuclear modes are detected near 185 and 260 cm−1 using two-dimensional photon echo spectroscopy. In addition, a transient absorption anisotropy measurement reveals vibrational resonances associated with (out-of-plane) anisotropic nuclear modes near 640 and 815 cm−1. We investigate two possible origins for the recurrences in the anisotropy. A mechanism involving ground state nuclear coherences in the Condon approximation is ruled out by comparing the potential energy surfaces of the excitons to the direction of wavepacket motion. Electronic structure calculations suggest that non-Condon effects are the most likely explanation for the beats observed in the anisotropy. Such non-Condon effects also hold interesting implications for the vibronic exciton electronic structure of CPC. We calculate non-Condon intermolecular couplings in the dimer as large as 10 cm−1, which suggests that these effects are not negligible and deserve further consideration. Our findings provide additional insights into the sub-100 fs vibronic relaxation channel found in the closely related protein, allophycocyanin, whose pigment dimers possess nearly the same geometry and intermolecular Coulombic interactions as CPC. This study underscores the complex interplay of intramolecular vibronic coupling and site energy tuning in photosynthetic light harvesting. (paper)

  5. Vibronic effects in the spectroscopy and dynamics of C-phycocyanin

    Science.gov (United States)

    Womick, Jordan M.; West, Brantley A.; Scherer, Norbert F.; Moran, Andrew M.

    2012-08-01

    Femtosecond laser spectroscopies are used to investigate the influence of intramolecular nuclear modes on electronic relaxation in the cyanobacterial light harvesting protein, C-phycocyanin (CPC). Of particular interest are sub-ps dynamics localized on pairs of closely spaced phycocyanobilin pigments (i.e. dimers). Experiments conducted under different polarization conditions are used to distinguish isotropic and anisotropic vibrational modes within the dimers. Two isotropic nuclear modes are detected near 185 and 260 cm-1 using two-dimensional photon echo spectroscopy. In addition, a transient absorption anisotropy measurement reveals vibrational resonances associated with (out-of-plane) anisotropic nuclear modes near 640 and 815 cm-1. We investigate two possible origins for the recurrences in the anisotropy. A mechanism involving ground state nuclear coherences in the Condon approximation is ruled out by comparing the potential energy surfaces of the excitons to the direction of wavepacket motion. Electronic structure calculations suggest that non-Condon effects are the most likely explanation for the beats observed in the anisotropy. Such non-Condon effects also hold interesting implications for the vibronic exciton electronic structure of CPC. We calculate non-Condon intermolecular couplings in the dimer as large as 10 cm-1, which suggests that these effects are not negligible and deserve further consideration. Our findings provide additional insights into the sub-100 fs vibronic relaxation channel found in the closely related protein, allophycocyanin, whose pigment dimers possess nearly the same geometry and intermolecular Coulombic interactions as CPC. This study underscores the complex interplay of intramolecular vibronic coupling and site energy tuning in photosynthetic light harvesting.

  6. CD59 Underlines the Antiatherosclerotic Effects of C-Phycocyanin on Mice

    Directory of Open Access Journals (Sweden)

    Bing Li

    2013-01-01

    Full Text Available The effects of C-phycocyanin (C-PC on atherosclerosis and the regulatory effects of CD59 gene on anti-atherosclerotic roles of C-PC were investigated. Apolipoprotein E knockout (ApoE(−/− mice were randomly divided into four groups: control group, C-PC treatment group, CD59 transfection group and C-PC+CD59 synergy group. The mice were fed with high-fat-diet and treated with drug intervention at the same time. Results showed the atherosclerotic mouse model was successfully established. CD59 was over-expressed in blood and tissue cells. Single CD59 or C-PC could reduce blood lipid levels and promote the expression of anti-apoptotic Bcl-2 but inhibit pro-apoptotic Fas proteins in endothelial cells. The expression levels of cell cycle protein D1 (Cyclin D1 and mRNA levels of cyclin dependent protein kinase 4 (CDK4 in smooth muscle cells were restrained by CD59 and C-PC. CD59 or C-PC alone could inhibit the formation of atherosclerotic plaque by suppressing MMP-2 protein expression. In addition, C-PC could promote CD59 expression. So both CD59 and C-PC could inhibit the progress of atherosclerosis, and the anti-atherosclerotic effects of C-PC might be fulfilled by promoting CD59 expression, preventing smooth muscle cell proliferation and the apoptosis of endothelial cells, reducing blood fat levels, and at last inhibiting the development of atherosclerosis.

  7. Insights into methane hydrate formation, agglomeration, and dissociation in water + diesel oil dispersed system

    International Nuclear Information System (INIS)

    Highlights: • Hydrate agglomeration occurs at initial hydrate formation or under shutting down stages. • The agglomeration of hydrate is inhibited and dispersed with the action of anti-agglomerants. • The appearance of surface water may cause the agglomeration of hydrate during hydrate dissociation. • A mechanism was proposed to describe hydrate dissociation from water in oil dispersed system. - Abstract: Methane hydrate formation and dissociation in (5 vol% water + 95 vol% diesel oil) dispersed system containing a combined anti-agglomerant were experimentally studied using a high pressure autoclave installed with particle video microscope and focused beam reflectance measurement probes. The agglomeration of hydrate was found to occur at the initial hydrate formation stage. With the continuous formation of hydrate, the agglomeration of hydrate will be inhibited and hydrate was dispersed with the action of the anti-agglomerant. The agglomeration of hydrate also occurs when the hydrate containing fluid is under static state for a certain time. Larger hydrate particles attached by gas bubble with grape-like shape were found during hydrate dissociation. The dissociated surface water would contact with un-dissociated hydrate and accumulate to larger water/hydrate particles may be the reason that causes the agglomeration during initial hydrate dissociation process. A mechanism was proposed to describe hydrate dissociation from water in oil dispersed system

  8. Probing the hydration water diffusion of macromolecular surfaces and interfaces

    Science.gov (United States)

    Ortony, Julia H.; Cheng, Chi-Yuan; Franck, John M.; Kausik, Ravinath; Pavlova, Anna; Hunt, Jasmine; Han, Songi

    2011-01-01

    We probe the translational dynamics of the hydration water surrounding the macromolecular surfaces of selected polyelectrolytes, lipid vesicles and intrinsically disordered proteins with site specificity in aqueous solutions. These measurements are made possible by the recent development of a new instrumental and methodological approach based on Overhauser dynamic nuclear polarization (DNP)-enhanced nuclear magnetic resonance (NMR) spectroscopy. This technique selectively amplifies 1H NMR signals of hydration water around a spin label that is attached to a molecular site of interest. The selective 1H NMR amplification within molecular length scales of a spin label is achieved by utilizing short-distance range (~r-3) magnetic dipolar interactions between the 1H spin of water and the electron spin of a nitroxide radical-based label. Key features include the fact that only minute quantities (=100 μM) sample concentrations are needed. There is no size limit on the macromolecule or molecular assembly to be analyzed. Hydration water with translational correlation times between 10 and 800 ps is measured within ~10 Å distance of the spin label, encompassing the typical thickness of a hydration layer with three water molecules across. The hydration water moving within this time scale has significant implications, as this is what is modulated whenever macromolecules or molecular assemblies undergo interactions, binding or conformational changes. We demonstrate, with the examples of polymer complexation, protein aggregation and lipid-polymer interaction, that the measurements of interfacial hydration dynamics can sensitively and site specifically probe macromolecular interactions.

  9. Investigation of the Structure and Element Composition of C-Phycocyanin Extracted from the Microalgae Spirulina platensis

    CERN Document Server

    Mosulishvili, L M; Kirkesali, E I; Khizanishvili, A I; Frontasyeva, M V; Pavlov, S S; Gundorina, S F

    2002-01-01

    The structure and element composition of C-phycocyanin (C-PC) extracted from the blue-green alga Spirulina platensis were studied. The behavior of structural subunits forming phycobilisomes in the purification process was studied by capillary electrophoresis. Their proportion in high-purity C-PC was determined. The element composition of C-PC of different purity was studied by means of epithermal neutron activation analysis, and metals which may form macromolecular complexes with C-PC were determined (Zn, Cr, Ni, Co, As, Sr, Mo, Ag, Hg). It was shown that contents of toxic metals did not exceed accepted permissible levels for the human organism.

  10. Investigation of the structure and element composition of C-phycocyanin extracted from the microalgae Spirulina platensis

    International Nuclear Information System (INIS)

    The structure and element composition of C-phycocyanin (C-PC) extracted from the blue-green alga Spirulina platensis were studied. The behavior of structural subunits forming phycobilisomes in the purification process was studied by capillary electrophoresis. Their proportion in high-purity C-PC was determined. The element composition of C-PC of different purity was studied by means of the epithermal neutron activation analysis, and metals which may form macromolecular complexes with C-PC were determined (Zn, Cr, Ni, Co, As, Sr, Mo, Ag, Hg). It was shown that contents of toxic metals did not exceed accepted permissible levels for the human organism. (author)

  11. Ion-water clusters, bulk medium effects, and ion hydration

    CERN Document Server

    Merchant, Safir; Dean, Kelsey R; Asthagiri, D

    2011-01-01

    Thermochemistry of gas-phase ion-water clusters together with estimates of the hydration free energy of the clusters and the water ligands are used to calculate the hydration free energy of the ion. Often the hydration calculations use a continuum model of the solvent. The primitive quasichemical approximation to the quasichemical theory provides a transparent framework to anchor such efforts. Here we evaluate the approximations inherent in the primitive quasichemical approach and elucidate the different roles of the bulk medium. We find that the bulk medium can stabilize configurations of the cluster that are usually not observed in the gas phase, while also simultaneously lowering the excess chemical potential of the ion. This effect is more pronounced for soft ions. Since the coordination number that minimizes the excess chemical potential of the ion is identified as the optimal or most probable coordination number, for such soft ions, the optimum cluster size and the hydration thermodynamics obtained with...

  12. Increasing gas hydrate formation temperature for desalination of high salinity produced water with secondary guests

    Energy Technology Data Exchange (ETDEWEB)

    Cha, Jong-Ho [ORISE; Seol, Yongkoo [U.S. DOE

    2013-01-01

    We suggest a new gas hydrate-based desalination process using water-immiscible hydrate formers; cyclopentane (CP) and cyclohexane (CH) as secondary hydrate guests to alleviate temperature requirements for hydrate formation. The hydrate formation reactions were carried out in an isobaric condition of 3.1 MPa to find the upper temperature limit of CO2 hydrate formation. Simulated produced water (8.95 wt % salinity) mixed with the hydrate formers shows an increased upper temperature limit from −2 °C for simple CO2 hydrate to 16 and 7 °C for double (CO2 + CP) and (CO2 + CH) hydrates, respectively. The resulting conversion rate to double hydrate turned out to be similar to that with simple CO2 hydrate at the upper temperature limit. Hydrate formation rates (Rf) for the double hydrates with CP and CH are shown to be 22 and 16 times higher, respectively, than that of the simple CO2 hydrate at the upper temperature limit. Such mild hydrate formation temperature and fast formation kinetics indicate increased energy efficiency of the double hydrate system for the desalination process. Dissociated water from the hydrates shows greater than 90% salt removal efficiency for the hydrates with the secondary guests, which is also improved from about 70% salt removal efficiency for the simple hydrates.

  13. Macroscopic investigation of hydrate film growth at the hydrocarbon/water interface

    Energy Technology Data Exchange (ETDEWEB)

    Taylor, C.J.; Miller, K.T.; Koh, C.A.; Sloan, E.D. [Colorado School of Mines, Golden, CO (United States). Dept. of Chemical Engineering

    2008-07-01

    Clathrate hydrates are ice-like crystalline compounds that form as thin porous crystalline films at the interface between the water phase and the hydrocarbon guest molecule phase. The growth characteristics of these hydrate films are important in seafloor carbon dioxide sequestration, gas hydrate transport, and flow assurance in oil and gas pipelines. This paper presented a study that employed digital video microscopy to investigate the hydrate film thickness as a function of time, as well as the propagation rate for methane and cyclopentane hydrate. The purpose of the study was to enhance past measurements of hydrate film growth by incorporating gas consumption measurements simultaneously with film thickness measurements to determine which phase supplied the hydrate former during hydrate formation. The study also advanced the physical knowledge of hydrate formation by relating film formation with the water droplet to hydrate shell conversion. The paper included a schematic of the hydrate film growth apparatus and image acquisition and analysis as well as an illustration of the nucleation of a water droplet immersed in cyclopentane. The results were presented for cyclopentane hydrate film growth; methane hydrate film growth; film growth in an oil/methane/ water system; film growth/development into water phase; and gas consumption for hydrate film growth. The paper also discussed the source of methane for hydrate formation; solubility of methane in water; growth rates; proposed mechanism of hydrate film growth at the hydrocarbon/water interface; and, transferability between hydrate formation for a pool of liquid versus a water droplet. It was concluded that gas consumption data during hydrate formation presented evidence of an aqueous phase supply of hydrate former to the initial hydrate growth, followed by a vapor phase supply of hydrate former in the thickening stage of hydrate film formation. 25 refs., 18 figs.,.

  14. Spectroscopic study of the light-harvesting protein C-phycocyanin associated with colorless linker peptides

    Energy Technology Data Exchange (ETDEWEB)

    Pizarro, Shelly A.

    2000-05-12

    The phycobilisome (PBS) light-harvesting antenna is composed of chromophore-containing biliproteins and 'colorless' linker peptides and is structurally designed to support unidirectional transfer of excitation energy from the periphery of the PBS to its core. The linker peptides have a unique role in this transfer process by modulating the spectral properties of the associated biliprotein. There is only one three-dimensional structure of a biliprotein/linker complex available to date (APC/LC7.8) and the mechanism of interaction between these two proteins remains unknown. This study brings together a detailed spectroscopic characterization of C-Phycocyanin (PC)-linker complexes (isolated from Synechococcus sp. PCC 7002) with proteomic analysis of the linker amino acid sequences to produce a model for biliprotein/linker interaction. The amino acid sequences of the rod linkers [LR8.9, LR32.3 and LRC28.5] were examined to identify evolutionarily conserved regions important to either the structure or function of this protein family. Although there is not one common homologous site among all the linkers, there are strong trends across each separate subset (LC, LR and LRC) and the N-terminal segments of both LR32.3 and LRC28.5 display multiple regions of similarity with other linkers. Predictions of the secondary structure of LR32.3 and LRC28.5, and comparison to the crystal structure of LC7.8, further narrowed the candidates for interaction sites with the PC chromophores. Measurements of the absorption, fluorescence, CD and excitation anisotropy of PC trimer, PC/LR32.3, and PC/LRC28.5, document the spectroscopic effect of each linker peptide on the PC chromophores at a series of temperatures (298 to 77 K). Because LR32.3 and LRC28.5 modulate the PC trimer spectral properties in distinct manners, it suggests different chromophore-interaction mechanisms for each linker. The low temperature absorbance spectrum of the PC trimer is consistent with an excitonic

  15. Probing the hydration water diffusion of macromolecular surfaces and interfaces

    International Nuclear Information System (INIS)

    We probe the translational dynamics of the hydration water surrounding the macromolecular surfaces of selected polyelectrolytes, lipid vesicles and intrinsically disordered proteins with site specificity in aqueous solutions. These measurements are made possible by the recent development of a new instrumental and methodological approach based on Overhauser dynamic nuclear polarization (DNP)-enhanced nuclear magnetic resonance (NMR) spectroscopy. This technique selectively amplifies 1H NMR signals of hydration water around a spin label that is attached to a molecular site of interest. The selective 1H NMR amplification within molecular length scales of a spin label is achieved by utilizing short-distance range (∼r-3) magnetic dipolar interactions between the 1H spin of water and the electron spin of a nitroxide radical-based label. Key features include the fact that only minute quantities (<10 μl) and dilute (≥100 μM) sample concentrations are needed. There is no size limit on the macromolecule or molecular assembly to be analyzed. Hydration water with translational correlation times between 10 and 800 ps is measured within ∼10 A distance of the spin label, encompassing the typical thickness of a hydration layer with three water molecules across. The hydration water moving within this time scale has significant implications, as this is what is modulated whenever macromolecules or molecular assemblies undergo interactions, binding or conformational changes. We demonstrate, with the examples of polymer complexation, protein aggregation and lipid-polymer interaction, that the measurements of interfacial hydration dynamics can sensitively and site specifically probe macromolecular interactions.

  16. Correlation Between Chain Architecture and Hydration Water Structure in Polysaccharides.

    Science.gov (United States)

    Grossutti, Michael; Dutcher, John R

    2016-03-14

    The physical properties of confined water can differ dramatically from those of bulk water. Hydration water associated with polysaccharides provides a particularly interesting example of confined water, because differences in polysaccharide structure provide different spatially confined environments for water sorption. We have used attenuated total reflection infrared (ATR-IR) spectroscopy to investigate the structure of hydration water in films of three different polysaccharides under controlled relative humidity (RH) conditions. We compare the results obtained for films of highly branched, dendrimer-like phytoglycogen nanoparticles to those obtained for two unbranched polysaccharides, hyaluronic acid (HA), and chitosan. We find similarities between the water structuring in the two linear polysaccharides and significant differences for phytoglycogen. In particular, the results suggest that the high degree of branching in phytoglycogen leads to a much more well-ordered water structure (low density, high connectivity network water), indicating the strong influence of chain architecture on the structuring of water. These measurements provide unique insight into the relationship between the structure and hydration of polysaccharides, which is important for understanding and exploiting these sustainable nanomaterials in a wide range of applications. PMID:26859153

  17. Correlation Between Chain Architecture and Hydration Water Structure in Polysaccharides

    Science.gov (United States)

    Grossutti, Michael; Dutcher, John

    The physical properties of confined water can differ dramatically from those of bulk water. Hydration water associated with polysaccharides provides a particularly important example of confined water, with differences in polysaccharide structure providing different spatially confined environments for water adsorption. We have used attenuated total reflection infrared (ATR-IR) spectroscopy to investigate the structure of hydration water in films of three different polysaccharides under controlled relative humidity (RH) conditions. We compare the results obtained for films of highly branched, monodisperse phytoglycogen nanoparticles to those obtained for two unbranched polysaccharides, hyaluronic acid (HA) and chitosan. We find similarities between water structuring in the two linear polysaccharides, and significant differences for phytoglycogen. In particular, the phytoglycogen nanoparticles exhibited high network water connectivity, and a large increase in the fraction of multimer water clusters with increasing RH, whereas the water structure for HA and chitosan was found to be insensitive to changes in RH. These measurements provide unique insight into the relationship between the chain architecture and hydration of polysaccharides.

  18. Comparison of calculated and experimentally resolved rate constants for excitation energy transfer in C-phycocyanin. 1. Monomers

    Energy Technology Data Exchange (ETDEWEB)

    Debreczeny, M.P.; Sauer, K. [Lawrence Berkeley Lab., CA (United States); Zhou, J.; Bryant, D.A. [Pennsylvania State Univ., University Park, PA (United States)

    1995-05-18

    Rate constants for excitation energy transfer in light-harvesting protein, C-phycocyanin (PC), in the monomeric aggregation state, isolated from the cyanobacterium cynechococcus sp. PCC 7002, are calculated, using Foerster theory and compared with the results of time-resolved fluorescence measurements. The assignments of the energy-transfer rate constants in PC monomers are confirmed here by time-resolved fluorescence anisotropy measurements of the PC monomers isolated from both the wild-type and a mutant strain (cpcB/C155S) whose PC is missing the {beta}{sub 155} chromophore. It is concluded that the Foerster model of resonant energy transfer in the weak coupling limit successfully describes the dominant energy-transfer processes in this protein in the monomeric state. 31 refs., 3 figs., 4 tabs.

  19. Comparison of calculated and experimentally resolved rate constants for excitation energy transfer in C-phycocyanin. 2. Trimers

    Energy Technology Data Exchange (ETDEWEB)

    Debreczeny, M.F.; Sauer, K. [Lawrence Berkeley Lab., CA (United States); Zhou, J.; Bryant, D.A. [Pennsylvania State Univ., University Park, PA (United States)

    1995-05-18

    Resolution of the absorption spectrum of the {beta}{sub 155} chromophore in C-phycocyanin (PC) trimers is achieved by comparison of the steady state absorption spectra of ({alpha}{sup PC}{beta}{sup PC}){sub 3} and ({alpha}{sup PC}{beta}{sup *}){sub 3}. Comparison of the anisotropy decays of ({alpha}{sup PC}{beta}{sup PC}){sub 3} and ({alpha}{sup PC}{beta}{sup *}){sub 3} also greatly aids in the assignment of the dominant kinetic processes in PC trimers. A comparison is made of calculated Foerster rate constants for energy transfer with those rate constants resolved experimentally in the PC trimers. 35 refs.., 10 figs., 2 tabs.

  20. Pharmacological effects of a C-phycocyanin-based multicomponent nutraceutical in an in-vitro canine chondrocyte model of osteoarthritis.

    Science.gov (United States)

    Martinez, Stephanie E; Chen, Yufei; Ho, Emmanuel A; Martinez, Steven A; Davies, Neal M

    2015-07-01

    Multicomponent nutraceuticals are becoming increasingly popular treatments or adjunctive therapies for osteoarthritis in veterinary medicine despite lack of evidence of efficacy for many products. The objective of this study was to evaluate the anti-inflammatory and antioxidant activities of a commercially available C-phycocyanin-based nutraceutical and select constituent ingredients in an in-vitro model of canine osteoarthritis. Normal canine articular chondrocytes were used in an in-vitro model of osteoarthritis. Inflammatory conditions were induced using interleukin-1β. The nutraceutical preparation as a whole, its individual constituents, as well as carprofen were evaluated at concentrations of 0 to 250 μg/mL for reduction of the following inflammatory mediators and indicators of catabolism of the extracellular matrix: prostaglandin E2 (PGE2), tumor necrosis factor-α (TFN-α), interleukin-6 (IL-6), metalloproteinase-3 (MMP-3), nitric oxide, and sulfated glycosaminoglycans (sGAGs). Validated, commercially available assay kits were used for quantitation of inflammatory mediators. The antioxidant capacities, as well as cyclooxygenase-1 (COX-1), cyclooxygenase-2 (COX-2), and lipoxygenase (LOX) inhibitory activities of the whole nutraceutical preparation and select constituents, were also assessed using validated commercially available assay kits. The antioxidant capacity of the nutraceutical and constituents was concentration-dependent. The nutraceutical and constituents appear to display anti-inflammatory activity primarily through the inhibition of COX-2. The nutraceutical displayed similar strength to carprofen in reducing TNF-α, IL-6, MMP-3, nitric oxide, and sGAGs at select concentration ranges. The C-phycocyanin (CPC)-based nutraceutical and constituents may be able to mediate 3 primary pathogenic mechanisms of osteoarthritis: inflammation, chondral degeneration, and oxidative stress in vitro. The nutraceutical may be clinically useful in veterinary

  1. Transformation of deep-water methane bubbles into hydrate

    CERN Document Server

    Egorov, Alexander V; Rozhkov, Aleksey N

    2013-01-01

    The paper is dedicated to the mechanics of the methane bubbles in the gas hydrate stability zone of the basin. Transformation of deep-water methane bubbles into solid hydrate was investigated in Lake Baikal in situ. Released from the bottom methane bubbles were caught by different traps with transparent walls. It was observed that when bubbles entered into internal space of the trap, the bubbles could be transformed into two different solid hydrate structures depending on ambient conditions. The first structure is hydrate granular matter consisted of solid fragments with sizes of order of 1 mm. The second structure is high porous solid foam consisted of solid bubbles with sizes of order of 5 mm. The formed granular matter did not change during trap lifting up to top border of gas hydrate stability zone, whereas free methane intensively released from solid foam sample during it lifting. It was concluded that the decrease of the depth of bubble sampling and the decrease of the bubble flux rate assist to formati...

  2. Water-biomolecule systems under extreme conditions: from confinement to pressure effects

    Science.gov (United States)

    Bellissent-Funel, M.-C.

    Water is a unique liquid, many of whose properties are critical for the continued support of life. In living systems, essential water-related phenomena occur in restricted geometries in cells, and at active sites of proteins and membranes or at their surface. The effects of hydration on equilibrium protein structure and dynamics are fundamental to the relationship between structure and biological function. In particular, the configuration of water molecules near the hydrophilic-hydrophobic interfaces is of considerable relevance. The structure and dynamics of water confined in model systems developing hydrophilic interactions are compared with that of bulk water as determined by hydrophilic interactions are compared with that of bulk water as determined by neutron scattering. It is well known that hydration, internal dynamics, and function in proteins are intimately associated. Studies of dynamics of water molecules at surface of a C-phycocyanin protein are presented.

  3. Water Intake and Hydration Indices in Healthy European Adults: The European Hydration Research Study (EHRS).

    Science.gov (United States)

    Malisova, Olga; Athanasatou, Adelais; Pepa, Alex; Husemann, Marlien; Domnik, Kirsten; Braun, Hans; Mora-Rodriguez, Ricardo; Ortega, Juan F; Fernandez-Elias, Valentin E; Kapsokefalou, Maria

    2016-01-01

    Hydration status is linked with health, wellness, and performance. We evaluated hydration status, water intake, and urine output for seven consecutive days in healthy adults. Volunteers living in Spain, Germany, or Greece (n = 573, 39 ± 12 years (51.1% males), 25.0 ± 4.6 kg/m² BMI) participated in an eight-day study protocol. Total water intake was estimated from seven-day food and drink diaries. Hydration status was measured in urine samples collected over 24 h for seven days and in blood samples collected in fasting state on the mornings of days 1 and 8. Total daily water intake was 2.75 ± 1.01 L, water from beverages 2.10 ± 0.91 L, water from foods 0.66 ± 0.29 L. Urine parameters were: 24 h volume 1.65 ± 0.70 L, 24 h osmolality 631 ± 221 mOsmol/kg Η₂Ο, 24 h specific gravity 1.017 ± 0.005, 24 h excretion of sodium 166.9 ± 54.7 mEq, 24 h excretion of potassium 72.4 ± 24.6 mEq, color chart 4.2 ± 1.4. Predictors for urine osmolality were age, country, gender, and BMI. Blood indices were: haemoglobin concentration 14.7 ± 1.7 g/dL, hematocrit 43% ± 4% and serum osmolality 294 ± 9 mOsmol/kg Η₂Ο. Daily water intake was higher in summer (2.8 ± 1.02 L) than in winter (2.6 ± 0.98 L) (p = 0.019). Water intake was associated negatively with urine specific gravity, urine color, and urine sodium and potassium concentrations (p < 0.01). Applying urine osmolality cut-offs, approximately 60% of participants were euhydrated and 20% hyperhydrated or dehydrated. Most participants were euhydrated, but a substantial number of people (40%) deviated from a normal hydration level. PMID:27058557

  4. Water Intake and Hydration Indices in Healthy European Adults: The European Hydration Research Study (EHRS)

    Science.gov (United States)

    Malisova, Olga; Athanasatou, Adelais; Pepa, Alex; Husemann, Marlien; Domnik, Kirsten; Braun, Hans; Mora-Rodriguez, Ricardo; Ortega, Juan F.; Fernandez-Elias, Valentin E.; Kapsokefalou, Maria

    2016-01-01

    Hydration status is linked with health, wellness, and performance. We evaluated hydration status, water intake, and urine output for seven consecutive days in healthy adults. Volunteers living in Spain, Germany, or Greece (n = 573, 39 ± 12 years (51.1% males), 25.0 ± 4.6 kg/m2 BMI) participated in an eight-day study protocol. Total water intake was estimated from seven-day food and drink diaries. Hydration status was measured in urine samples collected over 24 h for seven days and in blood samples collected in fasting state on the mornings of days 1 and 8. Total daily water intake was 2.75 ± 1.01 L, water from beverages 2.10 ± 0.91 L, water from foods 0.66 ± 0.29 L. Urine parameters were: 24 h volume 1.65 ± 0.70 L, 24 h osmolality 631 ± 221 mOsmol/kg Η2Ο, 24 h specific gravity 1.017 ± 0.005, 24 h excretion of sodium 166.9 ± 54.7 mEq, 24 h excretion of potassium 72.4 ± 24.6 mEq, color chart 4.2 ± 1.4. Predictors for urine osmolality were age, country, gender, and BMI. Blood indices were: haemoglobin concentration 14.7 ± 1.7 g/dL, hematocrit 43% ± 4% and serum osmolality 294 ± 9 mOsmol/kg Η2Ο. Daily water intake was higher in summer (2.8 ± 1.02 L) than in winter (2.6 ± 0.98 L) (p = 0.019). Water intake was associated negatively with urine specific gravity, urine color, and urine sodium and potassium concentrations (p < 0.01). Applying urine osmolality cut-offs, approximately 60% of participants were euhydrated and 20% hyperhydrated or dehydrated. Most participants were euhydrated, but a substantial number of people (40%) deviated from a normal hydration level. PMID:27058557

  5. Dynamical Transition of Protein-Hydration Water

    Science.gov (United States)

    Doster, W.; Busch, S.; Gaspar, A. M.; Appavou, M.-S.; Wuttke, J.; Scheer, H.

    2010-03-01

    Thin layers of water on biomolecular and other nanostructured surfaces can be supercooled to temperatures not accessible with bulk water. Chen et al. [Proc. Natl. Acad. Sci. U.S.A. 103, 9012 (2006)]PNASA60027-842410.1073/pnas.0602474103 suggested that anomalies near 220 K observed by quasielastic neutron scattering can be explained by a hidden critical point of bulk water. Based on more sensitive measurements of water on perdeuterated phycocyanin, using the new neutron backscattering spectrometer SPHERES, and an improved data analysis, we present results that show no sign of such a fragile-to-strong transition. The inflection of the elastic intensity at 220 K has a dynamic origin that is compatible with a calorimetric glass transition at 170 K. The temperature dependence of the relaxation times is highly sensitive to data evaluation; it can be brought into perfect agreement with the results of other techniques, without any anomaly.

  6. Hydrate phase equilibrium and structure for (methane + ethane + tetrahydrofuran + water) system

    International Nuclear Information System (INIS)

    The separation of methane and ethane through forming hydrate is a possible choice in natural gas, oil processing, or ethylene producing. The hydrate formation conditions of five groups of (methane + ethane) binary gas mixtures in the presence of 0.06 mole fraction tetrahydrofuran (THF) in water were obtained at temperatures ranging from (277.7 to 288.2) K. In most cases, the presence of THF in water can lower the hydrate formation pressure of (methane + ethane) remarkably. However, when the composition of ethane is as high as 0.832, it is more difficult to form hydrate than without THF system. Phase equilibrium model for hydrates containing THF was developed based on a two-step hydrate formation mechanism. The structure of hydrates formed from (methane + ethane + THF + water) system was also determined by Raman spectroscopy. When THF concentration in initial aqueous solution was only 0.06 mole fraction, the coexistence of structure I hydrate dominated by ethane and structure II hydrate dominated by THF in the hydrate sample was clearly demonstrated by Raman spectroscopic data. On the contrary, only structure II hydrate existed in the hydrate sample formed from (methane + ethane + THF + water) system when THF concentration in initial aqueous solution was increased to 0.10 mole fraction. It indicated that higher THF concentration inhibited the formation of structure I hydrate dominated by ethane and therefore lowered the trapping of ethane in hydrate. It implies a very promising method to increase the separation efficiency of methane and ethane.

  7. Dietary water affects human skin hydration and biomechanics

    Directory of Open Access Journals (Sweden)

    Palma L

    2015-08-01

    Full Text Available Lídia Palma,1 Liliana Tavares Marques,1 Julia Bujan,2,3 Luís Monteiro Rodrigues1,4 1CBIOS – Research Center for Health Science and Technologies, Universidade Lusófona, Campo Grande, Lisboa, Portugal; 2Department of Medicine and Medical Specialities, Universidad de Alcalá de Henares, Madrid, Spain; 3CIBER-BBN, Madrid, España, Spain; 4Department of Pharmacological Sciences, School of Pharmacy, Universidade de Lisboa, Lisboa, Portugal Abstract: It is generally assumed that dietary water might be beneficial for the health, especially in dermatological (age preventing terms. The present study was designed to quantify the impact of dietary water on major indicators of skin physiology. A total of 49 healthy females (mean 24.5±4.3 years were selected and characterized in terms of their dietary daily habits, especially focused in water consumption, by a Food Frequency Questionnaire. This allowed two groups to be set – Group 1 consuming less than 3,200 mL/day (n=38, and Group 2 consuming more than 3,200 mL/day (n=11. Approximately 2 L of water were added to the daily diet of Group 2 individuals for 1 month to quantify the impact of this surplus in their skin physiology. Measurements involving epidermal superficial and deep hydration, transepidermal water loss, and several biomechanical descriptors were taken at day 0 (T0, 15 (T1, and 30 (T2 in several anatomical sites (face, upper limb, and leg. This stress test (2 L/day for 30 days significantly modified superficial and deep skin hydration, especially in Group 1. The same impact was registered with the most relevant biomechanical descriptors. Thus, in this study, it is clear that higher water inputs in regular diet might positively impact normal skin physiology, in particular in those individuals with lower daily water consumptions. Keywords: dietary water, water consume, skin hydration, TEWL, skin biomechanics

  8. Purification of arsenic contaminated ground water using hydrated manganese dioxide

    International Nuclear Information System (INIS)

    An analytical methodology has been developed for the separation of arsenic from ground water using inorganic material in neutral medium. The separation procedure involves the quantitative retention of arsenic on hydrated manganese dioxide, in neutral medium. The validity of the separation procedure has been checked by a standard addition method and radiotracer studies. Neutron activation analysis (NAA), a powerful measurement technique, has been used for the quantitative determination of arsenic. (author)

  9. Assessment of C-phycocyanin effect on astrocytes-mediated neuroprotection against oxidative brain injury using 2D and 3D astrocyte tissue model

    OpenAIRE

    Seul Ki Min; Jun Sang Park; Lidan Luo; Yeo Seon Kwon; Hoo Cheol Lee; Hyun Jung Shim; Il-Doo Kim; Ja-Kyeong Lee; Hwa Sung Shin

    2015-01-01

    Drugs are currently being developed to attenuate oxidative stress as a treatment for brain injuries. C-phycocyanin (C-Pc) is an antioxidant protein of green microalgae known to exert neuroprotective effects against oxidative brain injury. Astrocytes, which compose many portions of the brain, exert various functions to overcome oxidative stress; however, little is known about how C-Pc mediates the antioxidative effects of astrocytes. In this study, we revealed that C-Pc intranasal administrati...

  10. Antimelanogenic effect of c-phycocyanin through modulation of tyrosinase expression by upregulation of ERK and downregulation of p38 MAPK signaling pathways

    OpenAIRE

    Weng Yu-Ting; Yang Szu-Yen; Lin Yu-Yun; Wu Li-Chen; Tsai Yi-Ting

    2011-01-01

    Abstract Background Pigmentation is one of the essential defense mechanisms against oxidative stress or UV irradiation; however, abnormal hyperpigmentation in human skin may pose a serious aesthetic problem. C-phycocyanin (Cpc) is a phycobiliprotein from spirulina and functions as an antioxidant and a light harvesting protein. Though it is known that spirulina has been used to reduce hyperpigmentation, little literature addresses the antimelanogenic mechanism of Cpc. Herein, we investigated t...

  11. C-Phycocyanin Confers Protection against Oxalate-Mediated Oxidative Stress and Mitochondrial Dysfunctions in MDCK Cells

    Science.gov (United States)

    Farooq, Shukkur M.; Boppana, Nithin B.; Asokan, Devarajan; Sekaran, Shamala D.; Shankar, Esaki M.; Li, Chunying; Gopal, Kaliappan; Bakar, Sazaly A.; Karthik, Harve S.; Ebrahim, Abdul S.

    2014-01-01

    Oxalate toxicity is mediated through generation of reactive oxygen species (ROS) via a process that is partly dependent on mitochondrial dysfunction. Here, we investigated whether C-phycocyanin (CP) could protect against oxidative stress-mediated intracellular damage triggered by oxalate in MDCK cells. DCFDA, a fluorescence-based probe and hexanoyl-lysine adduct (HEL), an oxidative stress marker were used to investigate the effect of CP on oxalate-induced ROS production and membrane lipid peroxidation (LPO). The role of CP against oxalate-induced oxidative stress was studied by the evaluation of mitochondrial membrane potential by JC1 fluorescein staining, quantification of ATP synthesis and stress-induced MAP kinases (JNK/SAPK and ERK1/2). Our results revealed that oxalate-induced cells show markedly increased ROS levels and HEL protein expression that were significantly decreased following pre-treatment with CP. Further, JC1 staining showed that CP pre-treatment conferred significant protection from mitochondrial membrane permeability and increased ATP production in CP-treated cells than oxalate-alone-treated cells. In addition, CP treated cells significantly decreased the expression of phosphorylated JNK/SAPK and ERK1/2 as compared to oxalate-alone-treated cells. We concluded that CP could be used as a potential free radical-scavenging therapeutic strategy against oxidative stress-associated diseases including urolithiasis. PMID:24691130

  12. C-phycocyanin confers protection against oxalate-mediated oxidative stress and mitochondrial dysfunctions in MDCK cells.

    Directory of Open Access Journals (Sweden)

    Shukkur M Farooq

    Full Text Available Oxalate toxicity is mediated through generation of reactive oxygen species (ROS via a process that is partly dependent on mitochondrial dysfunction. Here, we investigated whether C-phycocyanin (CP could protect against oxidative stress-mediated intracellular damage triggered by oxalate in MDCK cells. DCFDA, a fluorescence-based probe and hexanoyl-lysine adduct (HEL, an oxidative stress marker were used to investigate the effect of CP on oxalate-induced ROS production and membrane lipid peroxidation (LPO. The role of CP against oxalate-induced oxidative stress was studied by the evaluation of mitochondrial membrane potential by JC1 fluorescein staining, quantification of ATP synthesis and stress-induced MAP kinases (JNK/SAPK and ERK1/2. Our results revealed that oxalate-induced cells show markedly increased ROS levels and HEL protein expression that were significantly decreased following pre-treatment with CP. Further, JC1 staining showed that CP pre-treatment conferred significant protection from mitochondrial membrane permeability and increased ATP production in CP-treated cells than oxalate-alone-treated cells. In addition, CP treated cells significantly decreased the expression of phosphorylated JNK/SAPK and ERK1/2 as compared to oxalate-alone-treated cells. We concluded that CP could be used as a potential free radical-scavenging therapeutic strategy against oxidative stress-associated diseases including urolithiasis.

  13. Solubility of paroxetine hydrochloride hemi-hydrate in (water + acetone)

    Energy Technology Data Exchange (ETDEWEB)

    Ren Guobin [School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072 (China)]. E-mail: renguobin2557@sohu.com; Wang Jingkang [School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072 (China); Li Guizhi [School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072 (China)

    2005-08-15

    Using a laser monitoring observation technique, the solubilities of paroxetine hydrochloride hemi-hydrate in (water + acetone) were determined by the synthetic method from (294.45 to 323.20) K, respectively. Results of these measurements were correlated by the three variants of the combined nearly ideal binary solvent/Redlich-Kister (CNIBS/R-K) model. For the seven group data studied, three variants of the (CNIBS/R-K) equation were found to provide accurate mathematical representations of the experimental data and variant 2 is the best of the three variants.

  14. Structural Phase Transitions and Water Dynamics in Uranyl Fluoride Hydrates.

    Science.gov (United States)

    Miskowiec, Andrew; Kirkegaard, Marie C; Huq, Ashfia; Mamontov, Eugene; Herwig, Kenneth W; Trowbridge, Lee; Rondinone, Adam; Anderson, Brian

    2015-12-10

    We report a novel production method for uranium oxyfluoride [(UO2)7F14(H2O)7]·4H2O, referred to as structure D. Structure D is produced as a product of hydrating anhydrous uranyl fluoride, UO2F2, through the gas phase at ambient temperatures followed by desiccation by equilibration with a dry environment. We follow the structure of [(UO2)7F14(H2O)7]·4H2O through an intermediate, liquid-like phase, wherein the coordination number of the uranyl ion is reduced to 5 (from 6 in the anhydrous structure), and a water molecule binds as an equatorial ligand to the uranyl ion. Quasielastic neutron scattering results compare well with previous measurements of mineral hydrates. The two groups of structurally distinct water molecules in D perform restricted motion on a length scale commensurate with the O-H bond (r = 0.92 Å). The more tightly bound equatorial ligand waters rotate slower (Dr = 2.2 ps(-1)) than their hydrogen-bonded partners (Dr = 28.7 ps(-1)). PMID:26575434

  15. Distribution of Water in Synthetic Calcium Silicate Hydrates.

    Science.gov (United States)

    Roosz, C; Gaboreau, S; Grangeon, S; Prêt, D; Montouillout, V; Maubec, N; Ory, S; Blanc, P; Vieillard, P; Henocq, P

    2016-07-12

    Understanding calcium silicate hydrates (CSHs) is of paramount importance for understanding the behavior of cement materials because they control most of the properties of these man-made materials. The atomic scale water content and structure have a major influence on their properties, as is analogous with clay minerals, and we should assess these. Here, we used a multiple analytical approach to quantify water distribution in CSH samples and to determine the relative proportions of water sorbed on external and internal (interlayer) surfaces. Water vapor isotherms were used to explain the water distribution in the CSH microstructure. As with many layered compounds, CSHs have external and internal (interlayer) surfaces displaying multilayer adsorption of water molecules on external surfaces owing to the hydrophilic surfaces. Interlayer water was also quantified from water vapor isotherm, X-ray diffraction (XRD), and thermal gravimetric analyses (TGA) data, displaying nonreversible swelling/shrinkage behavior in response to drying/rewetting cycles. From this quantification and balance of water distribution, we were able to explain most of the widely dispersed data already published according to the various relative humidity (RH) conditions and measurement techniques. Stoichiometric formulas were proposed for the different CSH samples analyzed (0.6 < Ca/Si < 1.6), considering the interlayer water contribution. PMID:27281114

  16. An optical linewidth study of a chromoprotein-C-phycocyanin in a low-temperature glass

    OpenAIRE

    Köhler, W.; Friedrich, J; Fischer, R.; Scheer, Hugo

    1988-01-01

    The temperature dependence of spectral holes burnt into a phycocyanin-doped ethylene glycol/water glass is investigated in the temperature range between 1.5 and 15 K. The data are well described by a power law with an exponent of 1.16 ± 0.1. Chromoproteins thus behave very much the same as glasses doped with small impurity molecules.

  17. Adsorption of Methane on Water under Hydrate Formation Conditions

    Institute of Scientific and Technical Information of China (English)

    PENG,Baozi; SUN,Changyu; LIU,Peng; CHEN,Guangjin

    2009-01-01

    The variation of interfacial tension with pressure has been determined systemically for water in equilibrium with compressed methane at temperature from 274.2 to 282.2 K in the range of pressure from 0.1 to 10.1 MPa using the pendant-drop method.The results show that the interface tension decreased with increasing pressure when temperature was specified.Pressure has a great influence upon the interface tension at higher pressure.The surface excess concentrations of methane on water at different temperatures and pressures were calculated.The results showed that higher pressure and lower temperature corresponded to higher adsorption concentration of methane.At the same time,the surface adsorption free energies of methane were also calculated,indicating that the adsorption of methane on water under hydrate formation condition is more preferable than that at 298.2 K.

  18. Water anomalous thermodynamics, attraction, repulsion, and hydrophobic hydration

    Science.gov (United States)

    Cerdeiriña, Claudio A.; Debenedetti, Pablo G.

    2016-04-01

    A model composed of van der Waals-like and hydrogen bonding contributions that simulates the low-temperature anomalous thermodynamics of pure water while exhibiting a second, liquid-liquid critical point [P. H. Poole et al., Phys. Rev. Lett. 73, 1632 (1994)] is extended to dilute solutions of nonionic species. Critical lines emanating from such second critical point are calculated. While one infers that the smallness of the water molecule may be a relevant factor for those critical lines to move towards experimentally accessible regions, attention is mainly focused on the picture our model draws for the hydration thermodynamics of purely hydrophobic and amphiphilic non-electrolyte solutes. We first focus on differentiating solvation at constant volume from the corresponding isobaric process. Both processes provide the same viewpoint for the low solubility of hydrophobic solutes: it originates from the combination of weak solute-solvent attractive interactions and the specific excluded-volume effects associated with the small molecular size of water. However, a sharp distinction is found when exploring the temperature dependence of hydration phenomena since, in contrast to the situation for the constant-V process, the properties of pure water play a crucial role at isobaric conditions. Specifically, the solubility minimum as well as enthalpy and entropy convergence phenomena, exclusively ascribed to isobaric solvation, are closely related to water's density maximum. Furthermore, the behavior of the partial molecular volume and the partial molecular isobaric heat capacity highlights the interplay between water anomalies, attraction, and repulsion. The overall picture presented here is supported by experimental observations, simulations, and previous theoretical results.

  19. Comparative Neuroregenerative Effects of C-Phycocyanin and IFN-Beta in a Model of Multiple Sclerosis in Mice.

    Science.gov (United States)

    Pentón-Rol, Giselle; Lagumersindez-Denis, Nielsen; Muzio, Luca; Bergami, Alessandra; Furlan, Roberto; Fernández-Massó, Julio R; Nazabal-Galvez, Marcelo; Llópiz-Arzuaga, Alexey; Herrera-Rolo, Tania; Veliz-Rodriguez, Tania; Polentarutti, Nadia; Marín-Prida, Javier; Raíces-Cruz, Ivette; Valenzuela-Silva, Carmen; Teixeira, Mauro Martins; Pentón-Arias, Eduardo

    2016-03-01

    Multiple Sclerosis (MS) therapies approved so far are unable to effectively reverse the chronic phase of the disease or improve the remyelination process. Here our aim is to evaluate the effects of C-Phycocyanin (C-Pc), a biliprotein from Spirulina platensis with anti-oxidant, anti-inflammatory and cytoprotective properties, in a chronic model of experimental autoimmune encephalomyelitis (EAE) in mice. C-Pc (2, 4 or 8 mg/kg i.p.) or IFN-beta (2000 IU, s.c.) was administered daily once a day or every other day, respectively, starting at disease onset, which differ among EAE mice between 11 and 15 days postinduction. Histological and immunohistochemistry (anti-Mac-3, anti-CD3 and anti-APP) assessments were performed in spinal cord in the postinduction time. Global gene expression in the brain was analyzed with the Illumina Mouse WG-6_V2 BeadChip microarray and the expression of particular genes, assessed by qPCR using the Fast SYBR Green RT-PCR Master Mix. Oxidative stress parameters (malondialdehyde, peroxidation potential, CAT/SOD ratio and GSH) were determined spectrophoto-metrically. Results showed that C-Pc ameliorates the clinical deterioration of animals, an effect that expresses the reduction of the inflammatory infiltrates invading the spinal cord tissue, the axonal preservation and the down-regulation of IL-17 expression in brain tissue and serum. C-Pc and IFN-beta improved the redox status in mice subjected to EAE, while microarray analysis showed that both treatments shared a common subset of differentially expressed genes, although they also differentially modulated another subset of genes. Specifically, C-Pc mainly modulated the expression of genes related to remyelination, gliogenesis and axon-glia processes. Taken together, our results indicate that C-Pc has significant therapeutic effects against EAE, mediated by the dynamic regulation of multiple biological processes. PMID:26556034

  20. Disorder of Hydrofluorocarbon Molecules Entrapped in the Water Cages of Structure I Clathrate Hydrate.

    Science.gov (United States)

    Takeya, Satoshi; Udachin, Konstantin A; Moudrakovski, Igor L; Ohmura, Ryo; Ripmeester, John A

    2016-05-23

    Water versus fluorine: Clathrate hydrates encaging hydrofluorocarbons as guests show both isotropic and anisotropic distributions within host water cages, depending on the number of fluorine atoms in the guest molecule; this is caused by changes in intermolecular interactions to host water molecules in the hydrates. PMID:27105807

  1. Hydrophobic hydration and the anomalous partial molar volumes in ethanol-water mixtures

    Science.gov (United States)

    Tan, Ming-Liang; Miller, Benjamin T.; Te, Jerez; Cendagorta, Joseph R.; Brooks, Bernard R.; Ichiye, Toshiko

    2015-02-01

    The anomalous behavior in the partial molar volumes of ethanol-water mixtures at low concentrations of ethanol is studied using molecular dynamics simulations. Previous work indicates that the striking minimum in the partial molar volume of ethanol VE as a function of ethanol mole fraction XE is determined mainly by water-water interactions. These results were based on simulations that used one water model for the solute-water interactions but two different water models for the water-water interactions. This is confirmed here by using two more water models for the water-water interactions. Furthermore, the previous work indicates that the initial decrease is caused by association of the hydration shells of the hydrocarbon tails, and the minimum occurs at the concentration where all of the hydration shells are touching each other. Thus, the characteristics of the hydration of the tail that cause the decrease and the features of the water models that reproduce this type of hydration are also examined here. The results show that a single-site multipole water model with a charge distribution that mimics the large quadrupole and the p-orbital type electron density out of the molecular plane has "brittle" hydration with hydrogen bonds that break as the tails touch, which reproduces the deep minimum. However, water models with more typical site representations with partial charges lead to flexible hydration that tends to stay intact, which produces a shallow minimum. Thus, brittle hydration may play an essential role in hydrophobic association in water.

  2. A forcefield with discrete displaceable waters and desolvation entropy for hydrated ligand docking

    OpenAIRE

    Forli, Stefano; Olson, Arthur J.

    2012-01-01

    In modeling ligand-protein interactions, the representation and role of water is of great importance. We introduce a forcefield and hydration docking method that enables the automated prediction of waters mediating the binding of ligands with target proteins. The method presumes no prior knowledge of the apo or holo protein hydration state, and is potentially useful in the process of structure-based drug discovery. The hydration forcefield accounts for the entropic and enthalpic contributions...

  3. Dynamics of Protein and its Hydration Water: Neutron Scattering Studies on Fully Deuterated GFP

    OpenAIRE

    Nickels, Jonathan D.; O’Neill, Hugh; Hong, Liang; Tyagi, Madhusudan; Ehlers, Georg; Weiss, Kevin L.; Zhang, Qiu; Yi, Zheng; Mamontov, Eugene; Smith, Jeremy C.; Sokolov, Alexei P.

    2012-01-01

    We present a detailed analysis of the picosecond-to-nanosecond motions of green fluorescent protein (GFP) and its hydration water using neutron scattering spectroscopy and hydrogen/deuterium contrast. The analysis reveals that hydration water suppresses protein motions at lower temperatures (

  4. Experimental investigation of gas hydrate formation, plugging and transportability in partially dispersed and water continuous systems

    Science.gov (United States)

    Vijayamohan, Prithvi

    As oil/gas subsea fields mature, the amount of water produced increases significantly due to the production methods employed to enhance the recovery of oil. This is true especially in the case of oil reservoirs. This increase in the water hold up increases the risk of hydrate plug formation in the pipelines, thereby resulting in higher inhibition cost strategies. A major industry concern is to reduce the severe safety risks associated with hydrate plug formation, and significantly extending subsea tieback distances by providing a cost effective flow assurance management/safety tool for mature fields. Developing fundamental understanding of the key mechanistic steps towards hydrate plug formation for different multiphase flow conditions is a key challenge to the flow assurance community. Such understanding can ultimately provide new insight and hydrate management guidelines to diminish the safety risks due to hydrate formation and accumulation in deepwater flowlines and facilities. The transportability of hydrates in pipelines is a function of the operating parameters, such as temperature, pressure, fluid mixture velocity, liquid loading, and fluid system characteristics. Specifically, the hydrate formation rate and plugging onset characteristics can be significantly different for water continuous, oil continuous, and partially dispersed systems. The latter is defined as a system containing oil/gas/water, where the water is present both as a free phase and partially dispersed in the oil phase (i.e., entrained water in the oil). Since hydrate formation from oil dispersed in water systems and partially dispersed water systems is an area which is poorly understood, this thesis aims to address some key questions in these systems. Selected experiments have been performed at the University of Tulsa flowloop to study the hydrate formation and plugging characteristics for the partially dispersed water/oil/gas systems as well as systems where the oil is completely dispersed

  5. Cloning and sequencing of the genes encoding the alpha and beta subunits of C-phycocyanin from the cyanobacterium Agmenellum quadruplicatum.

    OpenAIRE

    Pilot, T J; Fox, J L

    1984-01-01

    Synthetic oligonucleotide probes were used to identify a cloned DNA fragment from the cyanobacterium Agmenellum quadruplicatum that contains the genes for the alpha and beta subunits of C-phycocyanin. The coding region for the alpha-subunit gene begins 108 base pairs downstream from the 3' end of the beta-subunit structural gene. The sequences of the coding regions for both genes have been determined as well as 379 base pairs of 5' flanking region, 204 base pairs of 3' flanking region, and th...

  6. Water Transfer Characteristics during Methane Hydrate Formation Processes in Layered Media

    Directory of Open Access Journals (Sweden)

    Yousheng Deng

    2011-08-01

    Full Text Available Gas hydrate formation processes in porous media are always accompanied by water transfer. To study the transfer characteristics comprehensively, two kinds of layered media consisting of coarse sand and loess were used to form methane hydrate in them. An apparatus with three PF-meter sensors detecting water content and temperature changes in media during the formation processes was applied to study the water transfer characteristics. It was experimentally observed that the hydrate formation configurations in different layered media were similar; however, the water transfer characteristics and water conversion ratios were different.

  7. Measurements of Water Permeability in Unconsolidated Porous Media with Methane Hydrate Formation

    OpenAIRE

    Xiao-Sen Li; Gang Li; Jia-Lin Jia; Jing-Chun Feng; Bo Li

    2013-01-01

    Permeability is one of the key factors that determine the fluids flow capacity and production potential of hydrate deposits. In this study, an experimental setup is developed to investigate the flow properties of the porous media, and the permeabilities to water are measured in the unconsolidated porous media with or without hydrate deposition in the pores. A specialized method of precisely controlling the amount of injected methane gas is employed to form methane hydrate in the core sample, ...

  8. Submarine Slope Failure Primed and Triggered by Bottom Water Warming in Oceanic Hydrate-Bearing Deposits

    Directory of Open Access Journals (Sweden)

    Tae-Hyuk Kwon

    2012-08-01

    Full Text Available Many submarine slope failures in hydrate-bearing sedimentary deposits might be directly triggered, or at least primed, by gas hydrate dissociation. It has been reported that during the past 55 years (1955–2010 the 0–2000 m layer of oceans worldwide has been warmed by 0.09 °C because of global warming. This raises the following scientific concern: if warming of the bottom water of deep oceans continues, it would dissociate natural gas hydrates and could eventually trigger massive slope failures. The present study explored the submarine slope instability of oceanic gas hydrate-bearing deposits subjected to bottom water warming. One-dimensional coupled thermal-hydraulic-mechanical (T-H-M finite difference analyses were performed to capture the underlying physical processes initiated by bottom water warming, which includes thermal conduction through sediments, thermal dissociation of gas hydrates, excess pore pressure generation, pressure diffusion, and hydrate dissociation against depressurization. The temperature rise at the seafloor due to bottom water warming is found to create an excess pore pressure that is sufficiently large to reduce the stability of a slope in some cases. Parametric study results suggest that a slope becomes more susceptible to failure with increases in thermal diffusivity and hydrate saturation and decreases in pressure diffusivity, gas saturation, and water depth. Bottom water warming can be further explored to gain a better understanding of the past methane hydrate destabilization events on Earth, assuming that more reliable geological data is available.

  9. Water Density Fluctuations Relevant to Hydrophobic Hydration are Unaltered by Attractions

    CERN Document Server

    Remsing, Richard C

    2014-01-01

    An understanding of density fluctuations in bulk water has made significant contributions to our understanding of the hydration and interactions of idealized, purely repulsive hydrophobic solutes. To similarly inform the hydration of realistic hydrophobic solutes that have dispersive interactions with water, here we characterize water density fluctuations in the presence of attractive fields that correspond to solute-water attractions. We find that when the attractive field acts only in the solute hydration shell, but not in the solute core, it does not significantly alter water density fluctuations in the solute core region. We further find that for a wide range of solute sizes and attraction strengths, the free energetics of turning on the attractive fields in bulk water are accurately captured by linear response theory. Our results also suggest strategies for more efficiently estimating hydration free energies of realistic solutes in bulk water and at interfaces.

  10. Pressure Dependence of the Dynamic Crossover Temperatures in Protein and its Hydration Water

    CERN Document Server

    Chu, Xiang-qiang; Kim, Chansoo; Fratini, Emiliano; Baglioni, Piero; Leao, Juscelino B; Chen, Sow-Hsin

    2008-01-01

    Recently we have shown experimental evidence for a fragile-to-strong dynamic crossover (FSC) phenomenon in hydration water around a globular protein (lysozyme) at ambient pressure. In this letter we show that when applying pressure to the protein-water system, the FSC crossover temperatures in hydration water of lysozyme tracks the similar Widom line emanating from the existence of a liquid-liquid critical point in a 1-D confined water (in MCM-41-S). The mean squared displacements (MSD) of hydrogen atoms in lysozyme and in its hydration water show a sudden change of slopes at the same characteristic temperature, which decreases with an increasing pressure. These results taken together give support of the idea that the dynamic crossover (or so-called glass transition) of the protein is a function of both temperature and pressure, following the FSC of its hydration water.

  11. Hydrogen Bonding in Liquid Water and in the Hydration Shell of Salts.

    Science.gov (United States)

    Dagade, Dilip H; Barge, Seema S

    2016-03-16

    A near-IR spectral study on pure water and aqueous salt solutions is used to investigate stoichiometric concentrations of different types of hydrogen-bonded water species in liquid water and in water comprising the hydration shell of salts. Analysis of the thermodynamics of hydrogen-bond formation signifies that hydrogen-bond making and breaking processes are dominated by enthalpy with non-negligible heat capacity effects, as revealed by the temperature dependence of standard molar enthalpies of hydrogen-bond formation and from analysis of the linear enthalpy-entropy compensation effects. A generalized method is proposed for the simultaneous calculation of the spectrum of water in the hydration shell and hydration number of solutes. Resolved spectra of water in the hydration shell of different salts clearly differentiate hydrogen bonding of water in the hydration shell around cations and anions. A comparison of resolved liquid water spectra and resolved hydration-shell spectra of ions highlights that the ordering of absorption frequencies of different kinds of hydrogen-bonded water species is also preserved in the bound state with significant changes in band position, band width, and band intensity because of the polarization of water molecules in the vicinity of ions. PMID:26749515

  12. Hydrate Formation/Dissociation in (Natural Gas + Water + Diesel Oil) Emulsion Systems

    OpenAIRE

    Chang-Yu Sun; Bao-Jiang Sun; Guang-Jin Chen; Huang Liu; Chang-Sheng Xiang; Bao-Zi Peng

    2013-01-01

    Hydrate formation/dissociation of natural gas in (diesel oil + water) emulsion systems containing 3 wt% anti-agglomerant were performed for five water cuts: 5, 10, 15, 20, and 25 vol%. The natural gas solubilities in the emulsion systems were also examined. The experimental results showed that the solubility of natural gas in emulsion systems increases almost linearly with the increase of pressure, and decreases with the increase of water cut. There exists an initial slow hydrate formation st...

  13. Translational diffusion of hydration water correlates with functional motions in folded and intrinsically disordered proteins.

    OpenAIRE

    Schirò, Giorgio; Fichou, Yann; Paciaroni, Alessandro; Wuttke, Joachim; Tobias, Douglas J.; Weik, Martin; Gallat, Francois-Xavier,; Wood, Kathleen; Gabel, Frank; Moulin, Martine; Härtlein, Michael; Heyden, Matthias; Colletier, Jacques-Philippe; Orecchini, Andrea

    2015-01-01

    Hydrationwater is the natural matrix of biological macromolecules and is essential for their activity in cells. The coupling between ​water and protein dynamics has been intensively studied, yet it remains controversial. Here we combine protein perdeuteration, neutron scattering and molecular dynamics simulations to explore the nature of hydrationwater motions at temperatures between 200 and 300 K, across the so-called protein dynamical transition, in the intrinsically disordered human pr...

  14. Kinetics of Methane Hydrate Formation in Pure Water and Inhibitor Containing Systems

    Institute of Scientific and Technical Information of China (English)

    QIUJunhong; GUOTianmin

    2002-01-01

    Kinetic data of methane hydrate formation in the presence of pure water,brines with single salt and mixed salts,and aqueous solutions of ethylene glycol(EG) and salt+EG were measured.A new kinetic model of hydrate formation for the methane+water systems was developed based on a four-step formation mechanism and reaction kinetic approach.The proposed kinetic model predicts the kinetic behavior of methane hydrate formation in pure water with good accuracy.The feasibility of extending the kenetic model of salt(s) and EG containing systems was explored.

  15. Annular multiphase flow behavior during deep water drilling and the effect of hydrate phase transition

    Institute of Scientific and Technical Information of China (English)

    Wang Zhiyuan; Sun Baojiang

    2009-01-01

    It is very important to understand the annular multiphase flow behavior and the effect of hydrate phase transition during deep water drilling. The basic hydrodynamic models, including mass, momentum, and energy conservation equations, were established for annular flow with gas hydrate phase transition during gas kick. The behavior of annular multiphase flow with hydrate phase transition was investigated by analyzing the hydrate-forming region, the gas fraction in the fluid flowing in the annulus, pit gain, bottom hole pressure, and shut-in casing pressure. The simulation shows that it is possible to move the hydrate-forming region away from sea floor by increasing the circulation rate. The decrease in gas volume fraction in the annulus due to hydrate formation reduces pit gain, which can delay the detection of well kick and increase the risk of hydrate plugging in lines. Caution is needed when a well is monitored for gas kick at a relatively low gas production rate, because the possibility of hydrate presence is much greater than that at a relatively high production rate. The shut-in casing pressure cannot reflect the gas kick due to hydrate formation, which increases with time.

  16. Hydrophobic hydration and the anomalous partial molar volumes in ethanol-water mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Tan, Ming-Liang; Te, Jerez; Cendagorta, Joseph R. [Department of Chemistry, Georgetown University, Washington, District of Columbia 20057 (United States); Miller, Benjamin T.; Brooks, Bernard R. [Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Rockville, Maryland 20892 (United States); Ichiye, Toshiko, E-mail: ti9@georgetown.edu [Department of Chemistry, Georgetown University, Washington, District of Columbia 20057 (United States); Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Rockville, Maryland 20892 (United States)

    2015-02-14

    The anomalous behavior in the partial molar volumes of ethanol-water mixtures at low concentrations of ethanol is studied using molecular dynamics simulations. Previous work indicates that the striking minimum in the partial molar volume of ethanol V{sub E} as a function of ethanol mole fraction X{sub E} is determined mainly by water-water interactions. These results were based on simulations that used one water model for the solute-water interactions but two different water models for the water-water interactions. This is confirmed here by using two more water models for the water-water interactions. Furthermore, the previous work indicates that the initial decrease is caused by association of the hydration shells of the hydrocarbon tails, and the minimum occurs at the concentration where all of the hydration shells are touching each other. Thus, the characteristics of the hydration of the tail that cause the decrease and the features of the water models that reproduce this type of hydration are also examined here. The results show that a single-site multipole water model with a charge distribution that mimics the large quadrupole and the p-orbital type electron density out of the molecular plane has “brittle” hydration with hydrogen bonds that break as the tails touch, which reproduces the deep minimum. However, water models with more typical site representations with partial charges lead to flexible hydration that tends to stay intact, which produces a shallow minimum. Thus, brittle hydration may play an essential role in hydrophobic association in water.

  17. Hydrophobic hydration and the anomalous partial molar volumes in ethanol-water mixtures.

    Science.gov (United States)

    Tan, Ming-Liang; Miller, Benjamin T; Te, Jerez; Cendagorta, Joseph R; Brooks, Bernard R; Ichiye, Toshiko

    2015-02-14

    The anomalous behavior in the partial molar volumes of ethanol-water mixtures at low concentrations of ethanol is studied using molecular dynamics simulations. Previous work indicates that the striking minimum in the partial molar volume of ethanol VE as a function of ethanol mole fraction XE is determined mainly by water-water interactions. These results were based on simulations that used one water model for the solute-water interactions but two different water models for the water-water interactions. This is confirmed here by using two more water models for the water-water interactions. Furthermore, the previous work indicates that the initial decrease is caused by association of the hydration shells of the hydrocarbon tails, and the minimum occurs at the concentration where all of the hydration shells are touching each other. Thus, the characteristics of the hydration of the tail that cause the decrease and the features of the water models that reproduce this type of hydration are also examined here. The results show that a single-site multipole water model with a charge distribution that mimics the large quadrupole and the p-orbital type electron density out of the molecular plane has "brittle" hydration with hydrogen bonds that break as the tails touch, which reproduces the deep minimum. However, water models with more typical site representations with partial charges lead to flexible hydration that tends to stay intact, which produces a shallow minimum. Thus, brittle hydration may play an essential role in hydrophobic association in water. PMID:25681917

  18. Hydrophobic hydration and the anomalous partial molar volumes in ethanol-water mixtures

    International Nuclear Information System (INIS)

    The anomalous behavior in the partial molar volumes of ethanol-water mixtures at low concentrations of ethanol is studied using molecular dynamics simulations. Previous work indicates that the striking minimum in the partial molar volume of ethanol VE as a function of ethanol mole fraction XE is determined mainly by water-water interactions. These results were based on simulations that used one water model for the solute-water interactions but two different water models for the water-water interactions. This is confirmed here by using two more water models for the water-water interactions. Furthermore, the previous work indicates that the initial decrease is caused by association of the hydration shells of the hydrocarbon tails, and the minimum occurs at the concentration where all of the hydration shells are touching each other. Thus, the characteristics of the hydration of the tail that cause the decrease and the features of the water models that reproduce this type of hydration are also examined here. The results show that a single-site multipole water model with a charge distribution that mimics the large quadrupole and the p-orbital type electron density out of the molecular plane has “brittle” hydration with hydrogen bonds that break as the tails touch, which reproduces the deep minimum. However, water models with more typical site representations with partial charges lead to flexible hydration that tends to stay intact, which produces a shallow minimum. Thus, brittle hydration may play an essential role in hydrophobic association in water

  19. Measurements of gas hydrate formation probability distributions on a quasi-free water droplet

    Science.gov (United States)

    Maeda, Nobuo

    2014-06-01

    A High Pressure Automated Lag Time Apparatus (HP-ALTA) can measure gas hydrate formation probability distributions from water in a glass sample cell. In an HP-ALTA gas hydrate formation originates near the edges of the sample cell and gas hydrate films subsequently grow across the water-guest gas interface. It would ideally be desirable to be able to measure gas hydrate formation probability distributions of a single water droplet or mist that is freely levitating in a guest gas, but this is technically challenging. The next best option is to let a water droplet sit on top of a denser, immiscible, inert, and wall-wetting hydrophobic liquid to avoid contact of a water droplet with the solid walls. Here we report the development of a second generation HP-ALTA which can measure gas hydrate formation probability distributions of a water droplet which sits on a perfluorocarbon oil in a container that is coated with 1H,1H,2H,2H-Perfluorodecyltriethoxysilane. It was found that the gas hydrate formation probability distributions of such a quasi-free water droplet were significantly lower than those of water in a glass sample cell.

  20. Kinetics of gas hydrate formation in a water-oil-gas system

    Energy Technology Data Exchange (ETDEWEB)

    Talatori, S.; Barth, T. [Bergen Univ., Bergen (Norway). Dept. of Chemistry; Fotland, P. [StatoilHydro Research and Development Centre, Sandsli (Norway)

    2008-07-01

    Gas hydrates are crystalline compounds consisting of polyhedral water cavities which enclathrate small gas molecules. They are formed at certain pressure-temperature conditions where gas and water are present. Gas hydrate formation is of significant importance for flow assurance in oil pipelines at high pressures and/or low temperatures. It is therefore necessary to understand the kinetics of gas hydrate formation for the kinetic inhibition of the hydrates. This paper presented a kinetic model for the growth of gas hydrates and tested it against experimental hydrate kinetic data. The model was based on the Kolmogorov Johnson Mehl Avrami (KJMA) formula employed for a polynuclear mechanism and was found to fit the experimental data. A method was developed in which the mass of formed hydrates was calculated at different stirring rates from the experimental pressure and temperature recorded during the hydrate formation. The gas compositions predicted by the method were verified by comparison with the real compositions as obtained by analysis using a Hewlett Packard HP 6890 Series GC Plus. The paper described the experimental materials, procedures, and methods. It was concluded that linearization of the model specified the type of the nucleation and growth for all the kinetic data at each stirring rate. The effect of stirring rate on the kinetics of hydrate formation for the three stirring rates in the system showed acceleration of the hydrate formation when increasing the stirring rate from 300 to 600 rpm. More hydrates nucleated as stirring rates increased. It was recommended that in order to reach more definite conclusions, it would be necessary to repeat the measurements as well as conduct testing of other oils. 11 refs., 11 figs.

  1. Kinetic and Phase Behaviors of Catalytic Cracking Dry Gas Hydrate in Water-in-Oil Emulsion

    Institute of Scientific and Technical Information of China (English)

    MA Qinglan; HUANG Qiang; CHEN Guangjin; WANG Xiulin; SUN Changyu; YANG Lanying

    2013-01-01

    The systematic experimental studies were performed on the hydrate formation kinetics and gas-hydrate equilibrium for a simulated catalytic cracking gas in the water-in-oil emulsion.The effect of temperature,pressure and initial gas-liquid ratio on the hydrate formation was studied,respectively.The data were obtained at pressures ranging from 3.5 to 5 MPa and temperatures from 274.15 to 277.15 K.The results showed that hydrogen and methane can be separated from the C2+ fraction by forming hydrate at around 273.15 K which is much higher temperature than that of the cryogenic separation method,and the hydrate formation rate can be enhanced in the water-in-oil emulsion compared to pure water.The experiments provided the basic data for designing the industrial process,and setting the suitable operational conditions.The measured data of gas-hydrate equilibria were compared with the predictions by using the Chen-Guo hydrate thermodynamic model.

  2. Correlation of the Growth Rate of the Hydrate Layer at a Guest/Liquid-Water Interface to Mass Transfer Resistance

    Directory of Open Access Journals (Sweden)

    Ryo Ohmura

    2012-01-01

    Full Text Available Growth rate of a hydrate layer at the guest/liquid-water interface is analyzed considering the conjugate process of the mass-transfer and hydrate crystal growth. Hydrate-layer growth rate data in the literature are often compiled according to the system subcooling (∆T ≡ Teq − Tex, where Teq is the equilibrium dissociation temperature of the hydrate and Tex is the system temperature, suggesting predominant heat transfer limitations. In this paper, we investigate how the existing data on hydrate-layer growth is better correlated to mass transfer of the guest species in liquid water in three-phase equilibrium with bulk guest fluid and hydrate. We have analyzed the conjugate processes of mass-transfer/hydrate-layer-growth following our previous study on the hydrate crystal growth into liquid water saturated with a guest substance. A dimensionless parameter representing the hydrate-layer growth rate is derived from the analysis. This analysis is based on the idea that the growth rate is controlled by the mass transfer of the hydrate-guest substance, dissolved in the bulk of liquid water, to the front of the growing hydrate-layer along the guest/water interface. The variations in the hydrate-layer growth rate observed in the previous studies are related to the dimensionless parameter.

  3. Hydration Simulations of a Carbon Nanotube, Immersed in Water, according to the 3-Attractor Water Model

    Directory of Open Access Journals (Sweden)

    Francis F. Muguet

    2005-04-01

    Full Text Available MC simulations of a set of zigzag ((9,0-(14,0 and armchair ((6,6-(10,10carbon nanotubes immersed in water have been carried out in an NpT-ensemble (512 watermolecules, p=1 bar, T=298 K. Intermolecular interactions were described by BMWpotential according to which, besides the well-known linear water dimer bifurcated andinverted water dimers are metastable. In all cases, it was found that there are large periodicfluctuations of water occupancy inside the nanotubes. Decrease in the size of the nanotubediameter leads to a significant destruction of the H-bond network, and to a bifucarted dimerpopulation increase. Inverted dimer concentration relationship with the nanotube diameter ismore complicated. Population maximum for inverted dimers occurs for diameters of 10-11 å. Water features different intermolecular structures not only inside carbon nanotubesbut also in the outer first hydration shells. The amount of bifurcated and inverted dimers issignificantly more important in the first hydration shell than in bulk water.

  4. Submarine Slope Failure Primed and Triggered by Bottom Water Warming in Oceanic Hydrate-Bearing Deposits

    OpenAIRE

    Tae-Hyuk Kwon; Gye-Chun Cho

    2012-01-01

    Many submarine slope failures in hydrate-bearing sedimentary deposits might be directly triggered, or at least primed, by gas hydrate dissociation. It has been reported that during the past 55 years (1955–2010) the 0–2000 m layer of oceans worldwide has been warmed by 0.09 °C because of global warming. This raises the following scientific concern: if warming of the bottom water of deep oceans continues, it would dissociate natural gas hydrates and could eventually trigger massive slope f...

  5. Isotope Effect on Eutectic and Hydrate Melting Temperatures in the Water-THF System

    Directory of Open Access Journals (Sweden)

    C. Y. Jones

    2010-01-01

    Full Text Available Differential scanning calorimetry was used to study the effect of isotopic substitution on the eutectic and melting temperatures in the water-tetrahydrofuran (THF system with THF molar fractions near the stoichiometry of the hydrate phase. Deuteration of the host causes an opposite effect from that of the guest with respect to the hydrate liquidus curve and eutectic melting temperature. The eutectic temperature in D2O-containing systems is approximately 3.7 K higher than that in H2O-containing systems. The melting temperatures of THF and deuterated THF hydrates increase by roughly 3.5 K with heavy water. The inclusion of deuterated THF causes a depression of the hydrate liquidus temperatures and a small but measurable effect on the eutectic temperature.

  6. Modelling a deep water oil/gas spill under conditions of gas hydrate formation and decomposition

    International Nuclear Information System (INIS)

    A model for the behavior of oil and gas spills at deepwater locations was presented. Such spills are subjected to pressures and temperatures that can convert gases to gas hydrates which are lighter than water. Knowing the state of gases as they rise with the plume is important in predicting the fate of an oil or gas plume released in deepwater. The objective of this paper was to develop a comprehensive jet/plume model which includes computational modules that simulate the gas hydrate formation/decomposition of gas bubbles. This newly developed model is based on the kinetics of hydrate formation and decomposition coupled with mass and heat transfer phenomena. The numerical model was successfully tested using results of experimental data from the Gulf of Mexico. Hydrate formation and decomposition are integrated with an earlier model by Yapa and Zheng for underwater oil or gas jets and plumes. The effects of hydrate on the behavior of an oil or gas plume was simulated to demonstrate the models capabilities. The model results indicate that in addition to thermodynamics, the kinetics of hydrate formation/decomposition should be considered when studying the behavior of oil and gas spills. It was shown that plume behavior changes significantly depending on whether or not the local conditions force the gases to form hydrates. 25 refs., 4 tabs., 12 figs

  7. Hydration status moderates the effects of drinking water on children's cognitive performance.

    Science.gov (United States)

    Perry, Clinton S; Rapinett, Gertrude; Glaser, Nicole S; Ghetti, Simona

    2015-12-01

    Changes in hydration status throughout the day may affect cognitive performance with implications for learning success in the classroom. Our study tested the hypothesis that the benefit of drinking water on working memory and attention depends upon children's hydration status and renal response to water intake. Fifty-two children aged 9-12 years old were tested under two experimental conditions. The treatment session (Water session) consisted of a standard breakfast with 200 ml water, a baseline test, consumption of 750 ml of water over a period of two hours and subsequently retested. No water was provided after breakfast during the control session. Changes in hydration were assessed via urine samples. Cognitive testing consisted of digit span, pair cancellation, and delayed match to sample tasks. Children who exhibited smaller decreases in urine osmolality following water intake performed significantly better on the water day compared to the control day on a digit-span task and pair-cancellation task. Children who exhibited larger decreases in urine osmolality following water intake performed better on the control day compared to the water day on the digit-span task and pair-cancellation task. These results suggest that focusing on adequate hydration over time may be key for cognitive enhancement. PMID:26271221

  8. Coarse-grained model of water diffusion and proton conductivity in hydrated polyelectrolyte membrane

    International Nuclear Information System (INIS)

    Using dissipative particle dynamics (DPD), we simulate nanoscale segregation, water diffusion, and proton conductivity in hydrated sulfonated polystyrene (sPS). We employ a novel model [Lee et al. J. Chem. Theory Comput. 11(9), 4395-4403 (2015)] that incorporates protonation/deprotonation equilibria into DPD simulations. The polymer and water are modeled by coarse-grained beads interacting via short-range soft repulsion and smeared charge electrostatic potentials. The proton is introduced as a separate charged bead that forms dissociable Morse bonds with the base beads representing water and sulfonate anions. Morse bond formation and breakup artificially mimics the Grotthuss mechanism of proton hopping between the bases. The DPD model is parameterized by matching the proton mobility in bulk water, dissociation constant of benzenesulfonic acid, and liquid-liquid equilibrium of water-ethylbenzene solutions. The DPD simulations semi-quantitatively predict nanoscale segregation in the hydrated sPS into hydrophobic and hydrophilic subphases, water self-diffusion, and proton mobility. As the hydration level increases, the hydrophilic subphase exhibits a percolation transition from isolated water clusters to a 3D network. The analysis of hydrophilic subphase connectivity and water diffusion demonstrates the importance of the dynamic percolation effect of formation and breakup of temporary junctions between water clusters. The proposed DPD model qualitatively predicts the ratio of proton to water self-diffusion and its dependence on the hydration level that is in reasonable agreement with experiments

  9. Coarse-grained model of water diffusion and proton conductivity in hydrated polyelectrolyte membrane

    Science.gov (United States)

    Lee, Ming-Tsung; Vishnyakov, Aleksey; Neimark, Alexander V.

    2016-01-01

    Using dissipative particle dynamics (DPD), we simulate nanoscale segregation, water diffusion, and proton conductivity in hydrated sulfonated polystyrene (sPS). We employ a novel model [Lee et al. J. Chem. Theory Comput. 11(9), 4395-4403 (2015)] that incorporates protonation/deprotonation equilibria into DPD simulations. The polymer and water are modeled by coarse-grained beads interacting via short-range soft repulsion and smeared charge electrostatic potentials. The proton is introduced as a separate charged bead that forms dissociable Morse bonds with the base beads representing water and sulfonate anions. Morse bond formation and breakup artificially mimics the Grotthuss mechanism of proton hopping between the bases. The DPD model is parameterized by matching the proton mobility in bulk water, dissociation constant of benzenesulfonic acid, and liquid-liquid equilibrium of water-ethylbenzene solutions. The DPD simulations semi-quantitatively predict nanoscale segregation in the hydrated sPS into hydrophobic and hydrophilic subphases, water self-diffusion, and proton mobility. As the hydration level increases, the hydrophilic subphase exhibits a percolation transition from isolated water clusters to a 3D network. The analysis of hydrophilic subphase connectivity and water diffusion demonstrates the importance of the dynamic percolation effect of formation and breakup of temporary junctions between water clusters. The proposed DPD model qualitatively predicts the ratio of proton to water self-diffusion and its dependence on the hydration level that is in reasonable agreement with experiments.

  10. Coarse-grained model of water diffusion and proton conductivity in hydrated polyelectrolyte membrane

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Ming-Tsung; Vishnyakov, Aleksey; Neimark, Alexander V., E-mail: aneimark@rutgers.edu [Department of Chemical and Biochemical Engineering, Rutgers, The State University of New Jersey, 98 Brett Road, Piscataway, New Jersey 08854-8058 (United States)

    2016-01-07

    Using dissipative particle dynamics (DPD), we simulate nanoscale segregation, water diffusion, and proton conductivity in hydrated sulfonated polystyrene (sPS). We employ a novel model [Lee et al. J. Chem. Theory Comput. 11(9), 4395-4403 (2015)] that incorporates protonation/deprotonation equilibria into DPD simulations. The polymer and water are modeled by coarse-grained beads interacting via short-range soft repulsion and smeared charge electrostatic potentials. The proton is introduced as a separate charged bead that forms dissociable Morse bonds with the base beads representing water and sulfonate anions. Morse bond formation and breakup artificially mimics the Grotthuss mechanism of proton hopping between the bases. The DPD model is parameterized by matching the proton mobility in bulk water, dissociation constant of benzenesulfonic acid, and liquid-liquid equilibrium of water-ethylbenzene solutions. The DPD simulations semi-quantitatively predict nanoscale segregation in the hydrated sPS into hydrophobic and hydrophilic subphases, water self-diffusion, and proton mobility. As the hydration level increases, the hydrophilic subphase exhibits a percolation transition from isolated water clusters to a 3D network. The analysis of hydrophilic subphase connectivity and water diffusion demonstrates the importance of the dynamic percolation effect of formation and breakup of temporary junctions between water clusters. The proposed DPD model qualitatively predicts the ratio of proton to water self-diffusion and its dependence on the hydration level that is in reasonable agreement with experiments.

  11. Coarse-grained model of water diffusion and proton conductivity in hydrated polyelectrolyte membrane.

    Science.gov (United States)

    Lee, Ming-Tsung; Vishnyakov, Aleksey; Neimark, Alexander V

    2016-01-01

    Using dissipative particle dynamics (DPD), we simulate nanoscale segregation, water diffusion, and proton conductivity in hydrated sulfonated polystyrene (sPS). We employ a novel model [Lee et al. J. Chem. Theory Comput. 11(9), 4395-4403 (2015)] that incorporates protonation/deprotonation equilibria into DPD simulations. The polymer and water are modeled by coarse-grained beads interacting via short-range soft repulsion and smeared charge electrostatic potentials. The proton is introduced as a separate charged bead that forms dissociable Morse bonds with the base beads representing water and sulfonate anions. Morse bond formation and breakup artificially mimics the Grotthuss mechanism of proton hopping between the bases. The DPD model is parameterized by matching the proton mobility in bulk water, dissociation constant of benzenesulfonic acid, and liquid-liquid equilibrium of water-ethylbenzene solutions. The DPD simulations semi-quantitatively predict nanoscale segregation in the hydrated sPS into hydrophobic and hydrophilic subphases, water self-diffusion, and proton mobility. As the hydration level increases, the hydrophilic subphase exhibits a percolation transition from isolated water clusters to a 3D network. The analysis of hydrophilic subphase connectivity and water diffusion demonstrates the importance of the dynamic percolation effect of formation and breakup of temporary junctions between water clusters. The proposed DPD model qualitatively predicts the ratio of proton to water self-diffusion and its dependence on the hydration level that is in reasonable agreement with experiments. PMID:26747818

  12. Coalbed Methane Procduced Water Treatment Using Gas Hydrate Formation at the Wellhead

    Energy Technology Data Exchange (ETDEWEB)

    BC Technologies

    2009-12-30

    Water associated with coalbed methane (CBM) production is a significant and costly process waste stream, and economic treatment and/or disposal of this water is often the key to successful and profitable CBM development. In the past decade, advances have been made in the treatment of CBM produced water. However, produced water generally must be transported in some fashion to a centralized treatment and/or disposal facility. The cost of transporting this water, whether through the development of a water distribution system or by truck, is often greater than the cost of treatment or disposal. To address this economic issue, BC Technologies (BCT), in collaboration with Oak Ridge National Laboratory (ORNL) and International Petroleum Environmental Consortium (IPEC), proposed developing a mechanical unit that could be used to treat CBM produced water by forming gas hydrates at the wellhead. This process involves creating a gas hydrate, washing it and then disassociating hydrate into water and gas molecules. The application of this technology results in three process streams: purified water, brine, and gas. The purified water can be discharged or reused for a variety of beneficial purposes and the smaller brine can be disposed of using conventional strategies. The overall objectives of this research are to develop a new treatment method for produced water where it could be purified directly at the wellhead, to determine the effectiveness of hydrate formation for the treatment of produced water with proof of concept laboratory experiments, to design a prototype-scale injector and test it in the laboratory under realistic wellhead conditions, and to demonstrate the technology under field conditions. By treating the water on-site, producers could substantially reduce their surface handling costs and economically remove impurities to a quality that would support beneficial use. Batch bench-scale experiments of the hydrate formation process and research conducted at ORNL

  13. Hydration of methanol in water. A DFT-based molecular dynamics study

    CERN Document Server

    Van Erp, T S; Erp, Titus S. van; Meijer, Evert Jan

    2000-01-01

    We studied the hydration of a single methanol molecule in aqueous solution by first-principle DFT-based molecular dynamics simulation. The calculations show that the local structural and short-time dynamical properties of the water molecules remain almost unchanged by the presence of the methanol, confirming the observation from recent experimental structural data for dilute solutions. We also see, in accordance with this experimental work, a distinct shell of water molecules that consists of about 15 molecules. We found no evidence for a strong tangential ordering of the water molecules in the first hydration shell.

  14. Hydration water and peptide dynamics--two sides of a coin. A neutron scattering and adiabatic calorimetry study at low hydration and cryogenic temperatures.

    Science.gov (United States)

    Bastos, Margarida; Alves, Nuno; Maia, Sílvia; Gomes, Paula; Inaba, Akira; Miyazaki, Yuji; Zanotti, Jean-Marc

    2013-10-21

    In the present work we bridge neutron scattering and calorimetry in the study of a low-hydration sample of a 15-residue hybrid peptide from cecropin and mellitin CA(1-7)M(2-9) of proven antimicrobial activity. Quasielastic and low-frequency inelastic neutron spectra were measured at defined hydration levels - a nominally 'dry' sample (specific residual hydration h = 0.060 g/g), a H2O-hydrated (h = 0.49) and a D2O-hydrated one (h = 0.51). Averaged mean square proton mobilities were derived over a large temperature range (50-300 K) and the vibrational density of states (VDOS) were evaluated for the hydrated samples. The heat capacity of the H2O-hydrated CA(1-7)M(2-9) peptide was measured by adiabatic calorimetry in the temperature range 5-300 K, for different hydration levels. The glass transition and water crystallization temperatures were derived in each case. The existence of different types of water was inferred and their amounts calculated. The heat capacities as obtained from direct calorimetric measurements were compared to the values derived from the neutron spectroscopy by way of integrating appropriately normalized VDOS functions. While there is remarkable agreement with respect to both temperature dependence and glass transition temperatures, the results also show that the VDOS derived part represents only a fraction of the total heat capacity obtained from calorimetry. Finally our results indicate that both hydration water and the peptide are involved in the experimentally observed transitions. PMID:23986181

  15. 1H NMR relaxometry as an indicator of setting and water depletion during cement hydration

    International Nuclear Information System (INIS)

    Proton nuclear magnetic resonance relaxometry has been used to detect setting and microstructure evolution during cement hydration. NMR measurements were performed since casting, during setting and until hardening (from 0 to 3 days). The mobility of water molecules was assessed by an analysis focused on the diagram of longitudinal relaxation time T1 generated by an Inversion Recovery sequence. The initial stiffening of the solid network was identified by an analysis of the relaxation rate 1/T1. The kinetics of water depletion was investigated by using a simple one-pulse acquisition sequence. In parallel, conventional techniques (Vicat needle and temperature monitoring), as well as numerical simulations of hydration, were used to complement and validate these NMR results. Cement pastes and mortars with different water-to-cement ratios made of grey or white OPCs were tested. Furthermore, the effects of the addition of sand, super-plasticizer and silica fume on the hydration kinetics were investigated

  16. {sup 1}H NMR relaxometry as an indicator of setting and water depletion during cement hydration

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Biyun [Université Paris-Est, IFSTTAR, Materials Department, F-75732, Paris (France); Université Paris-Est, Laboratoire Navier, Ecole des Ponts ParisTech, IFSTTAR, CNRS, F-77455 Marne-la-Vallée (France); Faure, Paméla [Université Paris-Est, Laboratoire Navier, Ecole des Ponts ParisTech, IFSTTAR, CNRS, F-77455 Marne-la-Vallée (France); Thiéry, Mickaël, E-mail: mickael.thiery@ifsttar.fr [Université Paris-Est, IFSTTAR, Materials Department, F-75732, Paris (France); Baroghel-Bouny, Véronique [Université Paris-Est, IFSTTAR, Materials Department, F-75732, Paris (France)

    2013-03-15

    Proton nuclear magnetic resonance relaxometry has been used to detect setting and microstructure evolution during cement hydration. NMR measurements were performed since casting, during setting and until hardening (from 0 to 3 days). The mobility of water molecules was assessed by an analysis focused on the diagram of longitudinal relaxation time T{sub 1} generated by an Inversion Recovery sequence. The initial stiffening of the solid network was identified by an analysis of the relaxation rate 1/T{sub 1}. The kinetics of water depletion was investigated by using a simple one-pulse acquisition sequence. In parallel, conventional techniques (Vicat needle and temperature monitoring), as well as numerical simulations of hydration, were used to complement and validate these NMR results. Cement pastes and mortars with different water-to-cement ratios made of grey or white OPCs were tested. Furthermore, the effects of the addition of sand, super-plasticizer and silica fume on the hydration kinetics were investigated.

  17. In silico studies of the properties of water hydrating a small protein

    Energy Technology Data Exchange (ETDEWEB)

    Sinha, Sudipta Kumar; Chakraborty, Kausik; Bandyopadhyay, Sanjoy, E-mail: sanjoy@chem.iitkgp.ernet.in [Molecular Modeling Laboratory, Department of Chemistry, Indian Institute of Technology, Kharagpur - 721302 (India); Jana, Madhurima [Molecular Simulation Laboratory, Department of Chemistry, National Institute of Technology, Rourkela - 769008 (India)

    2014-12-14

    Atomistic molecular dynamics simulation of an aqueous solution of the small protein HP-36 has been carried out with explicit solvent at room temperature. Efforts have been made to explore the influence of the protein on the relative packing and ordering of water molecules around its secondary structures, namely, three α-helices. The calculations reveal that the inhomogeneous water ordering and density distributions around the helices are correlated with their relative hydrophobicity. Importantly, we have identified the existence of a narrow relatively dehydrated region containing randomly organized “quasi-free” water molecules beyond the first layer of “bound” waters at the protein surface. These water molecules with relatively weaker binding energies form the transition state separating the “bound” and “free” water molecules at the interface. Further, increased contribution of solid-like caging motions of water molecules around the protein is found to be responsible for reduced fluidity of the hydration layer. Interestingly, we notice that the hydration layer of helix-3 is more fluidic with relatively higher entropy as compared to the hydration layers of the other two helical segments. Such characteristics of helix-3 hydration layer correlate well with the activity of HP-36, as helix-3 contains the active site of the protein.

  18. Methane hydrate stability in the presence of water-soluble hydroxyalkyl cellulose

    Institute of Scientific and Technical Information of China (English)

    M. Mohammad-Taheri; A. Zarringhalam Moghaddam; K. Nazari; N. Gholipour Zanjani

    2012-01-01

    The effect of low-dosage water-soluble hydroxyethyl cellulose (approximate Mw~90,000 and 250,000) as a member ofhydroxyalkyl cellulosic polymer group on methane hydrate stability was investigated by monitoring hydrate dissociation at pressures greater than atmospheric pressure in a closed vessel.In particular,the influence of molecular weight and mass concentration of hydroxyethyl cellulose (HEC) was studied with respect to hydrate formation and dissociation.Methane hydrate formation was performed at 2 ℃ and at a pressure greater than 100 bar.Afterwards,hydrate dissociation was initiated by step heating from - 10 ℃ at a mild pressure of 13 bar to -3 ℃,0 ℃ and 2 ℃.With respect to the results obtained for methane hydrate formation/dissociation and the amount of gas uptake,we concluded that HEC 90,000 at 5000 ppm is suitable for long-term gas storage and transportation under a mild pressure of 13 bar and at temperatures below the freezing point.

  19. Anomalous and anisotropic nanoscale diffusion of hydration water molecules in fluid lipid membranes.

    Science.gov (United States)

    Toppozini, Laura; Roosen-Runge, Felix; Bewley, Robert I; Dalgliesh, Robert M; Perring, Toby; Seydel, Tilo; Glyde, Henry R; García Sakai, Victoria; Rheinstädter, Maikel C

    2015-11-14

    We have studied nanoscale diffusion of membrane hydration water in fluid-phase lipid bilayers made of 1,2-dimyristoyl-3-phosphocholine (DMPC) using incoherent quasi-elastic neutron scattering. Dynamics were fit directly in the energy domain using the Fourier transform of a stretched exponential. By using large, 2-dimensional detectors, lateral motions of water molecules and motions perpendicular to the membranes could be studied simultaneously, resulting in 2-dimensional maps of relaxation time, τ, and stretching exponent, β. We present experimental evidence for anomalous (sub-diffusive) and anisotropic diffusion of membrane hydration water molecules over nanometer distances. By combining molecular dynamics and Brownian dynamics simulations, the potential microscopic origins for the anomaly and anisotropy of hydration water were investigated. Bulk water was found to show intrinsic sub-diffusive motion at time scales of several picoseconds, likely related to caging effects. In membrane hydration water, however, the anisotropy of confinement and local dynamical environments leads to an anisotropy of relaxation times and stretched exponents, indicative of anomalous dynamics. PMID:26338138

  20. Dual reorientation relaxation routes of water molecules in oxyanion’s hydration shell: A molecular geometry perspective

    Energy Technology Data Exchange (ETDEWEB)

    Xie, Wen Jun; Yang, Yi Isaac; Gao, Yi Qin, E-mail: gaoyq@pku.edu.cn [Institute of Theoretical and Computational Chemistry, College of Chemistry and Molecular Engineering and Biodynamic Optical Imaging Center, Peking University, Beijing 100871 (China)

    2015-12-14

    In this study, we examine how complex ions such as oxyanions influence the dynamic properties of water and whether differences exist between simple halide anions and oxyanions. Nitrate anion is taken as an example to investigate the hydration properties of oxyanions. Reorientation relaxation of its hydration water can occur through two different routes: water can either break its hydrogen bond with the nitrate to form one with another water or switch between two oxygen atoms of the same nitrate. The latter molecular mechanism increases the residence time of oxyanion’s hydration water and thus nitrate anion slows down the translational motion of neighbouring water. But it is also a “structure breaker” in that it accelerates the reorientation relaxation of hydration water. Such a result illustrates that differences do exist between the hydration of oxyanions and simple halide anions as a result of different molecular geometries. Furthermore, the rotation of the nitrate solute is coupled with the hydrogen bond rearrangement of its hydration water. The nitrate anion can either tilt along the axis perpendicularly to the plane or rotate in the plane. We find that the two reorientation relaxation routes of the hydration water lead to different relaxation dynamics in each of the two above movements of the nitrate solute. The current study suggests that molecular geometry could play an important role in solute hydration and dynamics.

  1. Dual reorientation relaxation routes of water molecules in oxyanion’s hydration shell: A molecular geometry perspective

    International Nuclear Information System (INIS)

    In this study, we examine how complex ions such as oxyanions influence the dynamic properties of water and whether differences exist between simple halide anions and oxyanions. Nitrate anion is taken as an example to investigate the hydration properties of oxyanions. Reorientation relaxation of its hydration water can occur through two different routes: water can either break its hydrogen bond with the nitrate to form one with another water or switch between two oxygen atoms of the same nitrate. The latter molecular mechanism increases the residence time of oxyanion’s hydration water and thus nitrate anion slows down the translational motion of neighbouring water. But it is also a “structure breaker” in that it accelerates the reorientation relaxation of hydration water. Such a result illustrates that differences do exist between the hydration of oxyanions and simple halide anions as a result of different molecular geometries. Furthermore, the rotation of the nitrate solute is coupled with the hydrogen bond rearrangement of its hydration water. The nitrate anion can either tilt along the axis perpendicularly to the plane or rotate in the plane. We find that the two reorientation relaxation routes of the hydration water lead to different relaxation dynamics in each of the two above movements of the nitrate solute. The current study suggests that molecular geometry could play an important role in solute hydration and dynamics

  2. Antimelanogenic effect of c-phycocyanin through modulation of tyrosinase expression by upregulation of ERK and downregulation of p38 MAPK signaling pathways

    Directory of Open Access Journals (Sweden)

    Weng Yu-Ting

    2011-10-01

    Full Text Available Abstract Background Pigmentation is one of the essential defense mechanisms against oxidative stress or UV irradiation; however, abnormal hyperpigmentation in human skin may pose a serious aesthetic problem. C-phycocyanin (Cpc is a phycobiliprotein from spirulina and functions as an antioxidant and a light harvesting protein. Though it is known that spirulina has been used to reduce hyperpigmentation, little literature addresses the antimelanogenic mechanism of Cpc. Herein, we investigated the rationale for the Cpc-induced inhibitory mechanism on melanin synthesis in B16F10 melanoma cells. Methods Cpc-induced inhibitory effects on melanin synthesis and tyrosinase expression were evaluated. The activity of MAPK pathways-associated molecules such as MAPK/ERK and p38 MAPK, were also examined to explore Cpc-induced antimelanogenic mechanisms. Additionally, the intracellular localization of Cpc was investigated by confocal microscopic analysis to observe the migration of Cpc. Results Cpc significantly (P Conclusions Cpc exerted dual antimelanogenic mechanisms by upregulation of MAPK/ERK-dependent degradation of MITF and downregulation of p38 MAPK-regulated CREB activation to modulate melanin formation. Cpc may have potential applications in biomedicine, food, and cosmetic industries.

  3. Therapeutic Effect of C-Phycocyanin Extracted from Blue Green Algae in a Rat Model of Acute Lung Injury Induced by Lipopolysaccharide

    Directory of Open Access Journals (Sweden)

    Pak-on Leung

    2013-01-01

    Full Text Available C-Phycocyanin (CPC, extracted from blue green algae, is a dietary nutritional supplement due to its several beneficial pharmacological effects. This study was conducted to evaluate whether CPC protects against lipopolysaccharide- (LPS- induced acute lung injury (ALI in rats. Rats were challenged with LPS (5 mg/kg body weight intratracheally to induce ALI. After 3 h LPS instillation, rats were administrated with CPC (50 mg/kg body weight, i.p. for another 3 h. Our results showed that posttreatment with CPC significantly inhibited LPS-induced elevation of protein concentration, nitrite/nitrate level, release of proinflammatory cytokines, the number of total polymorphonuclear cells in bronchoalveolar lavage fluid, and lung edema evidenced by decrease of lung wet/dry weight ratio accompanied by a remarkable improvement of lung histopathological alterations. Furthermore, CPC significantly attenuated LPS-induced myeloperoxidase activity, O2− formation, expression of inducible nitric oxide synthase, and cyclooxygenase-2 as well as nuclear factor-kappa B (NF-κB activation in lungs. Additionally, CPC significantly downregulated proapoptotic proteins such as caspase-3 and Bax, but upregulated antiapoptotic proteins such as Bcl-2 and Bcl-XL in lungs exposed to LPS. These findings indicate that CPC could be potentially useful for treatment of LPS-related ALI by inhibiting inflammatory responses and apoptosis in lung tissues.

  4. Assessment of C-phycocyanin effect on astrocytes-mediated neuroprotection against oxidative brain injury using 2D and 3D astrocyte tissue model.

    Science.gov (United States)

    Min, Seul Ki; Park, Jun Sang; Luo, Lidan; Kwon, Yeo Seon; Lee, Hoo Cheol; Shim, Hyun Jung; Kim, Il-Doo; Lee, Ja-Kyeong; Shin, Hwa Sung

    2015-01-01

    Drugs are currently being developed to attenuate oxidative stress as a treatment for brain injuries. C-phycocyanin (C-Pc) is an antioxidant protein of green microalgae known to exert neuroprotective effects against oxidative brain injury. Astrocytes, which compose many portions of the brain, exert various functions to overcome oxidative stress; however, little is known about how C-Pc mediates the antioxidative effects of astrocytes. In this study, we revealed that C-Pc intranasal administration to the middle cerebral artery occlusion (MCAO) rats ensures neuroprotection of ischemic brain by reducing infarct size and improving behavioral deficits. C-Pc also enhanced viability and proliferation but attenuated apoptosis and reactive oxygen species (ROS) of oxidized astrocytes, without cytotoxicity to normal astrocytes and neurons. To elucidate how C-Pc leads astrocytes to enhance neuroprotection and repair of ischemia brain, we firstly developed 3D oxidized astrocyte model. C-Pc had astrocytes upregulate antioxidant enzymes such as SOD and catalase and neurotrophic factors BDNF and NGF, while alleviating inflammatory factors IL-6 and IL-1β and glial scar. Additionally, C-Pc improved viability of 3D oxidized neurons. In summary, C-Pc was concluded to activate oxidized astrocytes to protect and repair the ischemic brain with the combinatorial effects of improved antioxidative, neurotrophic, and anti-inflammatory mechanisms. PMID:26399322

  5. Transparent hydrogel with enhanced water retention capacity by introducing highly hydratable salt

    OpenAIRE

    Bai, Yuanyuan; Chen, Baohong; Xiang, Feng; Zhou, Jinxiong; Wang, Hong; Suo, Zhigang

    2014-01-01

    Polyacrylamide hydrogels containing salt as electrolyte have been used as highly stretchable transparent electrodes in flexible electronics, but those hydrogels are easy to dry out due to water evaporation. Targeted, we try to enhance water retention capacity of polyacrylamide hydrogel by introducing highly hydratable salts into the hydrogel. These hydrogels show enhanced water retention capacity in different level. Specially, polyacrylamide hydrogel containing high content of lithium chlorid...

  6. Is the first hydration shell of lysozyme of higher density than bulk water?

    OpenAIRE

    Merzel, Franci; Smith, Jeremy C.

    2002-01-01

    Characterization of the physical properties of protein surface hydration water is critical for understanding protein structure and folding. Here, using molecular dynamics simulation, we provide an explanation of recent x-ray and neutron solution scattering data that indicate that the density of water on the surface of lysozyme is significantly higher than that of bulk water. The simulation-derived scattering profiles are in excellent agreement with the experiment. In the ...

  7. Fluidity of water and of hydrated ions confined between solid surfaces to molecularly thin films

    International Nuclear Information System (INIS)

    In contrast to non-associating liquids such as oils or organic solvents, whose viscosity diverges when they are confined by solid surfaces to films thinner than about ten molecular diameters, recent studies reveal that salt-free water remains fluid, with a viscosity close to its bulk value, even when confined to films down to only one or two monolayers thick. For the case of high concentration aqueous salt solutions compressed down to subnanometre films between confining planar surfaces, the hydration sheaths about the ions (trapped between the oppositely charged surfaces) also remain extremely fluid: this behaviour is attributed to the tenacity of water molecules in the hydration layers together with their rapid relaxation/exchange time. Related experiments on highly compressed, polyelectrolyte brushes in aqueous media reveal a remarkable lubricity which is in large measure attributed to similar hydration layers about the charged segments: this water of hydration strongly resists being squeezed out, but at the same time it may rapidly exchange with adjacent water molecules, thereby remaining quite fluid and acting as a molecular lubricant

  8. Translational diffusion of hydration water correlates with functional motions in folded and intrinsically disordered proteins

    Science.gov (United States)

    Schirò, Giorgio; Fichou, Yann; Gallat, Francois-Xavier; Wood, Kathleen; Gabel, Frank; Moulin, Martine; Härtlein, Michael; Heyden, Matthias; Colletier, Jacques-Philippe; Orecchini, Andrea; Paciaroni, Alessandro; Wuttke, Joachim; Tobias, Douglas J.; Weik, Martin

    2015-03-01

    Hydration water is the natural matrix of biological macromolecules and is essential for their activity in cells. The coupling between water and protein dynamics has been intensively studied, yet it remains controversial. Here we combine protein perdeuteration, neutron scattering and molecular dynamics simulations to explore the nature of hydration water motions at temperatures between 200 and 300 K, across the so-called protein dynamical transition, in the intrinsically disordered human protein tau and the globular maltose binding protein. Quasi-elastic broadening is fitted with a model of translating, rotating and immobile water molecules. In both experiment and simulation, the translational component markedly increases at the protein dynamical transition (around 240 K), regardless of whether the protein is intrinsically disordered or folded. Thus, we generalize the notion that the translational diffusion of water molecules on a protein surface promotes the large-amplitude motions of proteins that are required for their biological activity.

  9. Isotope Effect on Eutectic and Hydrate Melting Temperatures in the Water-THF System

    OpenAIRE

    Lee, J. W.; Zhang, J. S.; Jones, C. Y.

    2010-01-01

    Differential scanning calorimetry was used to study the effect of isotopic substitution on the eutectic and melting temperatures in the water-tetrahydrofuran (THF) system with THF molar fractions near the stoichiometry of the hydrate phase. Deuteration of the host causes an opposite effect from that of the guest with respect to the hydrate liquidus curve and eutectic melting temperature. The eutectic temperature in D2O-containing systems is approximately 3.7 K higher than that in H2O-containi...

  10. X-ray computed-tomography observations of water flow through anisotropic methane hydrate-bearing sand

    Energy Technology Data Exchange (ETDEWEB)

    Seol, Yongkoo; Kneafsey, Timothy J.

    2009-06-01

    We used X-ray computed tomography (CT) to image and quantify the effect of a heterogeneous sand grain-size distribution on the formation and dissociation of methane hydrate, as well as the effect on water flow through the heterogeneous hydrate-bearing sand. A 28 cm long sand column was packed with several segments having vertical and horizontal layers with sands of different grain-size distributions. During the hydrate formation, water redistribution occurred. Observations of water flow through the hydrate-bearing sands showed that water was imbibed more readily into the fine sand, and that higher hydrate saturation increased water imbibition in the coarse sand due to increased capillary strength. Hydrate dissociation induced by depressurization resulted in different flow patterns with the different grain sizes and hydrate saturations, but the relationships between dissociation rates and the grain sizes could not be identified using the CT images. The formation, presence, and dissociation of hydrate in the pore space dramatically impact water saturation and flow in the system.

  11. Gas chromatographic thermodynamics on hydration processes of magnesium chloride with low water

    Institute of Scientific and Technical Information of China (English)

    陈建军; 陈关城; 马培华; 保积庆; 马玉涛; 陈丰秋

    2003-01-01

    The dehydration and hydration processes of magnesium chloride hydrates were studied by means of frontal chromatography analysis, calorimetry, thermogravimetry and chemical analysis. The mathematical imitation for the adsorption isotherms of MgCl2*4H2O and MgCl2*2H2O at different temperatures indicates that Boltzmann Function is the ideal equation to describe those adsorption isotherms. Its adsorption heat is -13.06kJ/mol and -16.11kJ/mol, respectively. The adsorption equilibrium constants are also given. From the data obtained, there is a thermodynamical possibility to use partial dehydrated magnesium chloride hydrates as an absorbance to clean water vapor contained in bischophite dehydration equipment and let the protection gas HCl recycle in the fluid bed reaction system.

  12. PORE STRUCTURE MODEL OF CEMENT HYDRATES CONSIDERING PORE WATER CONTENT AND REACTION PROCESS UNDER ARBITRARY HUMIDITY

    Science.gov (United States)

    Fujikura, Yusuke; Oshita, Hideki

    A simulation model to estimate the pore structure of cement hydrates by curing in arbitrary relative humidity is presented. This paper describes procedures for predicting phase compositions based on the classical hydration model of Portland cement, calculating the particle size distribution of constituent phases and evaluating the pore size distribution by stereological and statistical considerations. And to estimate the water content in pore structure under any relative humidity, we proposed the simulation model of adsorption isotherm model based on the pore structure. To evaluate the effectiveness of this model, simulation results were compared with experimental results of the pore size distribution measured by mercury porosimetry. As a result, it was found that the experimental and simulated results were in close agreement, and the simulated results indicated characterization of the po re structure of cement hydrates.

  13. The alteration test of hydrate cement paste by water-permeation using centrifugal force

    International Nuclear Information System (INIS)

    The high pH condition of aqueous solution in the radioactive waste repository can be produced by dissolution of hydrated cement. Many studies have been reported to clarify the mechanism to maintain high pH for a long term, however, these can not represent all phenomena related to the dissolution process of the cement hydrates because of the lack of solid phase analyses. We have studied not only the aqueous phase but the change of the solid phase simultaneously. We have studied the applicability of the permeability test method using centrifugal force to percolate pore water. By using this method, we have investigated the dissolution phenomena of hydrated cement within acceptable period of experiment. As a result, the solid phase analysis indicated the clear distinction between altered and unaltered area and the existence of a dissolution front was identified. On the altered area of the solid phase, it was confirmed that Ca(OH)2 was dissolved. An obvious change of microstructure was observed. The relation between the volume of percolated water and concentration of the liquid phase composition contained in percolated water through a specimen of hydrated cement was found to be quite similar to that of the test data by Pfingsten et. al. and consequently the dissolving process of cement was found to be identical. (author)

  14. Inhibition of methane and natural gas hydrate formation by altering the structure of water with amino acids.

    Science.gov (United States)

    Sa, Jeong-Hoon; Kwak, Gye-Hoon; Han, Kunwoo; Ahn, Docheon; Cho, Seong Jun; Lee, Ju Dong; Lee, Kun-Hong

    2016-01-01

    Natural gas hydrates are solid hydrogen-bonded water crystals containing small molecular gases. The amount of natural gas stored as hydrates in permafrost and ocean sediments is twice that of all other fossil fuels combined. However, hydrate blockages also hinder oil/gas pipeline transportation, and, despite their huge potential as energy sources, our insufficient understanding of hydrates has limited their extraction. Here, we report how the presence of amino acids in water induces changes in its structure and thus interrupts the formation of methane and natural gas hydrates. The perturbation of the structure of water by amino acids and the resulting selective inhibition of hydrate cage formation were observed directly. A strong correlation was found between the inhibition efficiencies of amino acids and their physicochemical properties, which demonstrates the importance of their direct interactions with water and the resulting dissolution environment. The inhibition of methane and natural gas hydrate formation by amino acids has the potential to be highly beneficial in practical applications such as hydrate exploitation, oil/gas transportation, and flow assurance. Further, the interactions between amino acids and water are essential to the equilibria and dynamics of many physical, chemical, biological, and environmental processes. PMID:27526869

  15. Gas hydrates in the deep water Ulleung Basin, East Sea, Korea.

    Science.gov (United States)

    Ryu, Byong-Jae

    2016-04-01

    Studies on gas hydrates in the deep-water Ulleung Basin, East Sea, Korea was initiated by the Korea Institute of Geoscience and Mineral Resources (KIGAM) to secure the future energy resources in 1996. Bottom simulating reflectors (BSRs) were first identified on seismic data collected in the southwestern part of the basin from 1998 to 1999. Regional geophysical surveys and geological studies of gas hydrates in the basin have been carried out by KIGAM from 2000 to 2004. The work included 12,367 km of 2D multi-channel seismic reflection lines and 38 piston cores 5 to 8 m long. As a part of the Korean National Gas Hydrate Program that has been performed since 2005, 6690 km of 2D multi-channel reflection seismic lines, 900 km2 of 3D seismic data, 69 piston cores and three PROD cores were additionally collected. In addition, two gas hydrate drilling expeditions were performed in 2007 and 2010. Cracks generally parallel to beddings caused by the dissociation of gas hydrate were often observed in cores. The lack of higher hydrocarbons and the carbon isotope ratios indicate that the methane is primarily biogenic. The seismic data showed clear and wide-spread bottom-simulating reflectors (BSRs). The BSR was identified by (a) its polarity opposite to the seafloor, (b) its seafloor-parallel reflection behavior, and (c) its occurrence at a sub-bottom depth corresponding to the expected base of gas hydrate stability zone. Several vertical to sub-vertical chimney-like blank zones up to several kilometers in diameter were also identified in the study area. They are often associated with velocity pull-up structures that are interpreted due to higher velocity in gas hydrate-bearing deposits. Seismic velocity analysis also showed a high velocity anomaly within the pull-up structure. Gas hydrate samples were collected from the shallow sedimentary section of blanking zone by piston coring in 2007. BSRs mainly occur in the southern part of the basin. They also locally observed in the

  16. Transparent hydrogel with enhanced water retention capacity by introducing highly hydratable salt

    Energy Technology Data Exchange (ETDEWEB)

    Bai, Yuanyuan; Xiang, Feng; Wang, Hong, E-mail: hwang@mail.xjtu.edu.cn, E-mail: suo@seas.harvard.edu [Electronic Materials Research Laboratory, School of Electronics and Information Engineering, Xi' an Jiaotong University, Xi' an 710049 (China); Chen, Baohong; Zhou, Jinxiong [State Key Laboratory for Strength and Vibration of Mechanical Structures, International Center for Applied Mechanics and School of Aerospace, Xi' an Jiaotong University, Xi' an 710049 (China); Suo, Zhigang, E-mail: hwang@mail.xjtu.edu.cn, E-mail: suo@seas.harvard.edu [School of Engineering and Applied Sciences, Kavli Institute of Bionano Science and Technology, Harvard University, Cambridge, Massachusetts 02138 (United States)

    2014-10-13

    Polyacrylamide hydrogels containing salt as electrolyte have been used as highly stretchable transparent electrodes in flexible electronics, but those hydrogels are easy to dry out due to water evaporation. Targeted, we try to enhance water retention capacity of polyacrylamide hydrogel by introducing highly hydratable salts into the hydrogel. These hydrogels show enhanced water retention capacity in different level. Specially, polyacrylamide hydrogel containing high content of lithium chloride can retain over 70% of its initial water even in environment with relative humidity of only 10% RH. The excellent water retention capacities of these hydrogels will make more applications of hydrogels become possible.

  17. Correlation of the Growth Rate of the Hydrate Layer at a Guest/Liquid-Water Interface to Mass Transfer Resistance

    OpenAIRE

    Ryo Ohmura; Masatoshi Kishimoto

    2012-01-01

    Growth rate of a hydrate layer at the guest/liquid-water interface is analyzed considering the conjugate process of the mass-transfer and hydrate crystal growth. Hydrate-layer growth rate data in the literature are often compiled according to the system subcooling (∆ T ≡ T eq − T ex , where T eq is the equilibrium dissociation temperature of the hydrate and T ex is the system temperature), suggesting predominant heat transfer limitations. In this paper, we investigate how the existing d...

  18. Hydration, Orientation, and Conformation of Methylglyoxal at the Air-Water Interface.

    Science.gov (United States)

    Wren, Sumi N; Gordon, Brittany P; Valley, Nicholas A; McWilliams, Laura E; Richmond, Geraldine L

    2015-06-18

    Aqueous-phase processing of methylglyoxal (MG) has been suggested to constitute an important source of secondary organic aerosol (SOA). The uptake of MG to aqueous particles is higher than expected because its carbonyl moieties can hydrate to form geminal diols, as well as because MG and its hydration products can undergo aldol condensation reactions to form larger oligomers in solution. MG is known to be surface active, but an improved description of its surface behavior is crucial to understanding MG-SOA formation. These studies investigate MG adsorption, focusing on its hydration state at the air-water interface, using a combined experimental and theoretical approach that involves vibrational sum frequency spectroscopy, molecular dynamics simulations, and density functional theory calculations. Together, the experimental and theoretical data show that MG exists predominantly in a singly hydrated state (diol) at the interface, with a diol-tetrol ratio at the surface higher than that for the bulk. In addition to exhibiting a strong surface activity, we find that MG significantly perturbs the water structure at the interface. The results have implications for understanding the atmospheric fate of methylglyoxal. PMID:25989368

  19. The dynamics of water in hydrated white bread investigated using quasielastic neutron scattering

    International Nuclear Information System (INIS)

    The dynamics of water in fresh and in rehydrated white bread is studied using quasielastic neutron scattering (QENS). A diffusion constant for water in fresh bread, without temperature gradients and with the use of a non-destructive technique, is presented here for the first time. The self-diffusion constant for fresh bread is estimated to be Ds = 3.8 x 10-10 m2 s-1 and the result agrees well with previous findings for similar systems. It is also suggested that water exhibits a faster dynamics than previously reported in the literature using equilibration of a hydration-level gradient monitored by vibrational spectroscopy. The temperature dependence of the dynamics of low hydration bread is also investigated for T = 280-350 K. The average relaxation time at constant momentum transfer (Q) shows an Arrhenius behavior in the temperature range investigated

  20. Study of the synergistic effects of all-transretinoic acid and C-phycocyanin on the growth and apoptosis of A549 cells.

    Science.gov (United States)

    Li, Bing; Gao, Mei-Hua; Lv, Cong-Yi; Yang, Peng; Yin, Qi-Feng

    2016-03-01

    In the present study, we investigated the effects of the combination of all-transretinoic acid (ATRA) and natural nontoxic C-phycocyanin (C-PC) on the growth of A549 lung cancer cells in vitro and in vivo. Furthermore, the anticancer mechanism of the drug combination was revealed. Results showed both C-PC and ATRA could inhibit the growth of A549 cells in vivo. The combination of ATRA+C-PC could yield a higher inhibition rate. C-PC exerted a major effect on the proliferation of human embryo lung cells, but ATRA at a high concentration exerted an inhibitory effect. In addition, ATRA+C-PC could decrease the CDK4 mRNA level, but upregulated caspase-3 protein expression and induced cell apoptosis. A mouse model with tumor was constructed by a subcutaneous injection to the left axilla of nu nude (NU/NU) mice. Compared with the control group, the tumor weight was decreased in the single-drug treatment group and was the lowest in the combination group. C-PC+ATRA could upregulate tumor necrosis factor levels and downregulate Bcl-2 expression and the cyclin D1 gene in the tumor. C-PC could promote T cells' activities and spleen weight, but a single use of ATRA exerted an opposite effect. The dosage of ATRA could be reduced when combined with C-PC to reduce the toxic side-effects. In summary, the antitumor effects of the C-PC+ATRA combination were more significant than a single drug in vivo and in vitro. PMID:25812039

  1. Monomeric C-phycocyanin at room temperature and 77 K. Resolution of the absorption and fluorescence spectra of the individual chromophores and the energy-transfer rate constants

    Energy Technology Data Exchange (ETDEWEB)

    Debreczeny, M.P.; Sauer, K. (Lawrence Berkeley Lab., CA (United States) Univ. of California, Berkeley, CA (United States)); Zhou, J.; Bryant, D.A. (Pennsylvania State Univ., University Park, PA (United States))

    1993-09-23

    At both room temperature (RT) and 77 K, the absorption and fluorescence spectra of the three individual chromophore types ([alpha][sub 84], [beta][sub 84], and [beta][sub 155]) found in monomeric C-phycocyanin ([alpha][sup PC][beta][sup PC]), isolated from the cyanobacterium Synechococcus sp. PCC 7002, were resolved along with the rates of energy transfer between the chromophores. The cpcB/C155S mutant, whose PC is missing the [beta][sub 155] chromophore, was useful in effecting this resolution. At RT, the single broad peak in the visible region of the absorption spectrum of ([alpha][sup PC][beta][sup PC]) was resolved into its three-component spectra by comparing the steady-state absorption spectra of the isolated wild-type [alpha] subunit of PC ([alpha][sup PC]) (containing only the [alpha][sub 84] chromophore) with those of the monomeric PCs isolated from the mutant strain ([alpha][sup PC][beta]*) and the wild-type strain ([alpha][sup PC][beta][sup PC]). At 77 K, the visible region of the absorption spectrum of ([alpha][sup PC][beta][sup PC]) splits into two peaks. This partial resolution at 77 K of the chromophore spectra of ([alpha][sup PC][beta][sup PC]) when compared with the 77 K absorption spectra of [alpha][sup PC], [beta][sup PC], and ([alpha][sup PC][beta]*) provided a confirmation of our RT assignments of the chromophore absorption spectra. 38 refs., 9 figs., 6 tabs.

  2. Influence of Hydration Level on Polymer and Water Dynamics in Alkaline Anion Exchange Fuel Cell Membranes

    Science.gov (United States)

    Tarver, Jacob; Kim, Jenny; Tyagi, Madhu; Soles, Christopher; Tsai, Tsung-Han; Coughlin, Bryan

    2015-03-01

    Triblock copolymers based on poly(chloromethylstyrene)-b-poly(ethylene)-b-poly(chloromethylstyrene) can be quaternized to different extents to yield anion exchange membranes for alkaline fuel cells. In the absence of moisture, these membranes demonstrate bilayer lamellar morphology. Upon high levels of hydration, however, in-situ small angle neutron scattering reveals the emergence of higher-order diffraction peaks. This phenomena has previously been observed in analogous diblock copolymer-based membranes and has been attributed to the induction of a multilayer lamellar morphology in which selective striping of water occurs in the center of the ion-rich domain. By conducting humidity-resolved quasielastic neutron scattering (QENS) measurements using deuterated water, we are able to isolate differences in the pico- to nanosecond timescale dynamics of the hydrogenated membrane upon hydration. QENS measurements in the presence of a hydrogenated water source subsequently permit deconvolution and isolation of the translational and rotational dynamics of water as a function of relative humidity, revealing spatial and temporal changes in polymer and water motion at high levels of hydration.

  3. Specific ions modulate diffusion dynamics of hydration water on lipid membrane surfaces.

    Science.gov (United States)

    Song, Jinsuk; Franck, John; Pincus, Philip; Kim, Mahn Won; Han, Songi

    2014-02-12

    Effects of specific ions on the local translational diffusion of water near large hydrophilic lipid vesicle surfaces were measured by Overhauser dynamic nuclear polarization (ODNP). ODNP relies on an unpaired electron spin-containing probe located at molecular or surface sites to report on the dynamics of water protons within ~10 Å from the spin probe, which give rise to spectral densities for electron-proton cross-relaxation processes in the 10 GHz regime. This pushes nuclear magnetic resonance relaxometry to more than an order of magnitude higher frequencies than conventionally feasible, permitting the measurement of water moving with picosecond to subnanosecond correlation times. Diffusion of water within ~10 Å of, i.e., up to ~3 water layers around the spin probes located on hydrophilic lipid vesicle surfaces is ~5 times retarded compared to the bulk water translational diffusion. This directly reflects on the activation barrier for surface water diffusion, i.e., how tightly water is bound to the hydrophilic surface and surrounding waters. We find this value to be modulated by the presence of specific ions in solution, with its order following the known Hofmeister series. While a molecular description of how ions affect the hydration structure at the hydrophilic surface remains to be answered, the finding that Hofmeister ions directly modulate the surface water diffusivity implies that the strength of the hydrogen bond network of surface hydration water is directly modulated on hydrophilic surfaces. PMID:24456096

  4. Strong temperature dependence of water reorientation in hydrophobic hydration shells

    OpenAIRE

    Petersen, C; Tielrooij, K. J.; Bakker, H.J.

    2009-01-01

    We study the temperature dependence of the orientational mobility of water molecules solvating hydrophobic molecular groups with femtosecond midinfrared spectroscopy. We observe that these dynamics show a strong temperature dependence. At temperatures 10 ps, which is more than four times slower than in bulk water. With increasing temperature, the reorientation of the solvating molecules strongly accelerates and becomes much more equal to the reorientation rate of the molecules in the bulk liq...

  5. Coupling of the hydration water dynamics and the internal dynamics of actin detected by quasielastic neutron scattering

    International Nuclear Information System (INIS)

    Highlights: ► Quasielastic neutron scattering spectra of F-actin and G-actin were measured. ► Analysis of the samples in D2O and H2O provided the spectra of hydration water. ► The first layer hydration water around F-actin is less mobile than around G-actin. ► This difference in hydration water is in concert with the internal dynamics of actin. ► Water outside the first layer behaves bulk-like but influenced by the first layer. -- Abstract: In order to characterize dynamics of water molecules around F-actin and G-actin, quasielastic neutron scattering experiments were performed on powder samples of F-actin and G-actin, hydrated either with D2O or H2O, at hydration ratios of 0.4 and 1.0. By combined analysis of the quasielastic neutron scattering spectra, the parameter values characterizing the dynamics of the water molecules in the first hydration layer and those of the water molecules outside of the first layer were obtained. The translational diffusion coefficients (DT) of the hydration water in the first layer were found to be 1.2 × 10−5 cm2/s and 1.7 × 10−5 cm2/s for F-actin and G-actin, respectively, while that for bulk water was 2.8 × 10−5 cm2/s. The residence times were 6.6 ps and 5.0 ps for F-actin and G-actin, respectively, while that for bulk water was 0.62 ps. These differences between F-actin and G-actin, indicating that the hydration water around G-actin is more mobile than that around F-actin, are in concert with the results of the internal dynamics of F-actin and G-actin, showing that G-actin fluctuates more rapidly than F-actin. This implies that the dynamics of the hydration water is coupled to the internal dynamics of the actin molecules. The DT values of the water molecules outside of the first hydration layer were found to be similar to that of bulk water though the residence times are strongly affected by the first hydration layer. This supports the recent observation on intracellular water that shows bulk-like behavior

  6. Free energy barriers for escape of water molecules from protein hydration layer.

    Science.gov (United States)

    Roy, Susmita; Bagchi, Biman

    2012-03-01

    Free energy barriers separating interfacial water molecules from the hydration layer at the surface of a protein to the bulk are obtained by using the umbrella sampling method of free energy calculation. We consider hydration layer of chicken villin head piece (HP-36) which has been studied extensively by molecular dynamics simulations. The free energy calculations reveal a strong sensitivity to the secondary structure. In particular, we find a region near the junction of first and second helix that contains a cluster of water molecules which are slow in motion, characterized by long residence times (of the order of 100 ps or more) and separated by a large free energy barrier from the bulk water. However, these "slow" water molecules constitute only about 5-10% of the total number of hydration layer water molecules. Nevertheless, they play an important role in stabilizing the protein conformation. Water molecules near the third helix (which is the important helix for biological function) are enthalpically least stable and exhibit the fastest dynamics. Interestingly, barrier height distributions of interfacial water are quite broad for water surrounding all the three helices (and the three coils), with the smallest barriers found for those near the helix-3. For the quasi-bound water molecules near the first and second helices, we use well-known Kramers' theory to estimate the residence time from the free energy surface, by estimating the friction along the reaction coordinate from the diffusion coefficient by using Einstein relation. The agreement found is satisfactory. We discuss the possible biological function of these slow, quasi-bound (but transient) water molecules on the surface. PMID:22288939

  7. Cooperative water-SOM interactions derived from the organic compound effect on SOM hydration

    Science.gov (United States)

    Borisover, Mikhail

    2014-05-01

    Interactions of water molecules with soil organic matter (SOM) may affect the ability of SOM to participate in multiple physical, chemical and biological processes. Specifically, water-SOM interactions may have a profound effect on interactions of organic compounds with SOM which is often considered as a major natural sorbent controlling the environmental fate of organic pollutants in the soil environment. Quantification of water - SOM interactions may be carried out by using water vapor sorption isotherms. However, water sorption isotherms providing macroscopic thermodynamic data do not allow examining water-SOM interactions on a microenvironment scale. The examination of water-SOM interactions in a local SOM environment may be carried out by determining the response of the SOM hydration to sorption of probe organic compounds. Recently, the model-free approach was proposed which allows quantifying effects of sorbing organic molecules on water - SOM interactions, by using relatively more available data on the effect of water activity on organic compound - SOM interactions. Therefore, this thermodynamic approach was applied to the experimental data describing sorption of organic compounds by SOM, both from the vapor and liquid phases, at various water activities. Hence, the response of water interactions with the model SOM materials such as a humic acid and an organic matter-rich peat soil to the presence of various organic sorbates was evaluated. Depending on a molecular structure of organic sorbates probing various molecular environments in SOM, the SOM-bound water may be driven in or out of the SOM sorbents. Organic compounds containing the atoms of oxygen, nitrogen or sulfur and preferring a relatively "polar" SOM microenvironment demonstrate the distinct enhancing effect on water-SOM interactions. In contrast, the "low-polarity" organic compounds, e.g., hydrocarbons or their halogen-substituted derivatives, produce a weakening effect on water-SOM interactions

  8. Water activity in lamellar stacks of lipid bilayers: "Hydration forces" revisited.

    Science.gov (United States)

    Leite Rubim, R; Gerbelli, B B; Bougis, K; Pinto de Oliveira, C L; Navailles, L; Nallet, F; Andreoli de Oliveira, E

    2016-01-01

    Water activity and its relationship with interactions stabilising lamellar stacks of mixed lipid bilayers in their fluid state are investigated by means of osmotic pressure measurements coupled with small-angle X-ray scattering. The (electrically neutral) bilayers are composed of a mixture in various proportions of lecithin, a zwitterionic phospholipid, and Simulsol, a non-ionic cosurfactant with an ethoxylated polar head. For highly dehydrated samples the osmotic pressure profile always exhibits the "classical" exponential decay as hydration increases but, depending on Simulsol to lecithin ratio, it becomes either of the "bound" or "unbound" types for more water-swollen systems. A simple thermodynamic model is used for interpreting the results without resorting to the celebrated but elusive "hydration forces". PMID:26794503

  9. Modeling of CO{sub 2}-hydrate formation at the gas-water interface in sand sediment

    Energy Technology Data Exchange (ETDEWEB)

    Takahashi, T.; Sato, T.; Hirabayashi, S.; Brumby, P.E. [University of Tokyo, Department of Ocean Technology, Policy, and Environment, Kashiwa (Japan); Inui, M. [Mitsubishi Heavy Industries America, Inc., Environmental Systems Division, Austin, TX (United States)

    2012-10-15

    Sub-seabed geological storage of CO{sub 2} in the form of gas hydrate is attractive because clathrate hydrate stably exists at low temperature and high pressure, even if a fault occurs by diastrophism like a big earthquake. For the effective design of the storage system it is necessary to model the formation of CO{sub 2}-hydrate. Here, it is assumed that the formation of gas hydrate on the interface between gas and water consists of two stages: gas diffusion through the CO{sub 2}-hydrate film and consequent CO{sub 2}-hydrate formation on the interface, between film and water. Also proposed is the presence of a fresh reaction interface, which is part of the interface between the gas and aqueous phases and not covered with CO{sub 2}-hydrate. Parameters necessary to model the hydrate formation in sand sediment are derived by comparing the results of the present numerical simulations and the measurements in the literature. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  10. Protocol for Measuring the Thermal Properties of a Supercooled Synthetic Sand-water-gas-methane Hydrate Sample.

    Science.gov (United States)

    Muraoka, Michihiro; Susuki, Naoko; Yamaguchi, Hiroko; Tsuji, Tomoya; Yamamoto, Yoshitaka

    2016-01-01

    Methane hydrates (MHs) are present in large amounts in the ocean floor and permafrost regions. Methane and hydrogen hydrates are being studied as future energy resources and energy storage media. To develop a method for gas production from natural MH-bearing sediments and hydrate-based technologies, it is imperative to understand the thermal properties of gas hydrates. The thermal properties' measurements of samples comprising sand, water, methane, and MH are difficult because the melting heat of MH may affect the measurements. To solve this problem, we performed thermal properties' measurements at supercooled conditions during MH formation. The measurement protocol, calculation method of the saturation change, and tips for thermal constants' analysis of the sample using transient plane source techniques are described here. The effect of the formation heat of MH on measurement is very small because the gas hydrate formation rate is very slow. This measurement method can be applied to the thermal properties of the gas hydrate-water-guest gas system, which contains hydrogen, CO2, and ozone hydrates, because the characteristic low formation rate of gas hydrate is not unique to MH. The key point of this method is the low rate of phase transition of the target material. Hence, this method may be applied to other materials having low phase-transition rates. PMID:27023374

  11. Direct measurement of the correlated dynamics of the protein-backbone and proximal waters of hydration in mechanically strained elastin

    CERN Document Server

    Sun, Cheng; Huang, Jiaxin; Boutis, Gregory S

    2011-01-01

    We report on the direct measurement of the correlation times of the protein backbone carbons and proximal waters of hydration in mechanically strained elastin by nuclear magnetic resonance methods. The experimental data indicate a decrease in the correlation times of the carbonyl carbons as the strain on the biopolymer is increased. These observations are in good agreement with short 4ns molecular dynamics simulations of (VPGVG)3, a well studied mimetic peptide of elastin. The experimental results also indicate a reduction in the correlation time of proximal waters of hydration with increasing strain applied to the elastomer. A simple model is suggested that correlates the increase in the motion of proximal waters of hydration to the increase in frequency of libration of the protein backbone that develops with increasing strain. Together, the reduction in the protein entropy accompanied with the increase in entropy of the proximal waters of hydration with increasing strain, support the notion that the source ...

  12. Towards the selection of a produced water enrichment for biological gas hydrate inhibitors.

    Science.gov (United States)

    Wilson, Sandra L; Voordouw, Gerrit; Walker, Virginia K

    2014-09-01

    Economic concerns associated with the recovery of non-conventional hydrocarbon reserves include unexpected ice as well as ice-like gas hydrate formation. Antifreeze proteins (AFPs) inhibit ice growth, and experiments with fish, plant, and insect AFPs have shown promise of effective gas hydrate inhibition in lab-scale experiments. If produced on an industrial scale, AFPs could provide a more environmentally friendly alternative to kinetic inhibitors, but a large-scale production of these AFPs is not currently feasible. We believe that these difficulties could be surmounted by the production of microbial AFPs, but to date, only a few such proteins have been identified and purified, and none of these are associated with hydrocarbon reserves. Here, we have used ice-affinity and freeze-thaw stress to select microbes derived from oil and gas formation water, or produced water, as a source of anaerobic microbial communities. Ice-affinity successfully incorporated anaerobic bacteria under aerobic conditions, and the mixed culture had ice-associating properties. Under these conditions, ice-affinity selection does not result in cultivatable isolates, but similar, cultivable microbes were obtained following freeze-thaw selection under anaerobic conditions. Since these mixed cultures inhibited the growth of ice crystals, they also have the potential to inhibit hydrate growth. Overall, freeze-thaw selection provides a promising first step towards the isolation of microbes capable of the inhibition of ice and gas hydrate growth, for possible application for energy exploration and recovery at high-latitudes and in-deep, cold waters. PMID:24819435

  13. Purification and Characterization of C-phycocyanin from Liquid Cultured Nostoc flagelliforme Cells%发状念珠藻藻蓝蛋白分离纯化及性质研究

    Institute of Scientific and Technical Information of China (English)

    岳思君; 贾士儒; 丁文杰; 戴玉杰

    2011-01-01

    It's useful measure for the protection of the endangered natural resources to extract useful substances from artificial cultured species. In this study, C-phycocyanin was extracted from liquid-cultured Nostoc flagelliforme cells with repeated frost thawing followed by frozen ultrasonic method. The crude extract was successfully purified by procedure of ammonium sulfate precipitation, ion exchange chromatography with DEAE 650M column, and gel filtration chromatography with Sephadex G200 column. The purity ratio and purity factor of the purified C-phycocyanin reached 5. 321 and 7. 623 respectively after successive purification procedure. It has a maximum absorption at 615nm and a maximum fluorescence emission at 646nm. There are two bands appeared at about 15.7ku and 16.8 ku for SDS-PAGE, which are attributed to α and βsubunits of C-phycocyanin. The stability tests indicated that C-phyeoeyanin is stable in the range pH 6 to 8 with temperature below 30℃ in the dark or indoor light conditions. These results help the further study on exploitation of C-phycocyanin from N. flagelliforme cells.%采用冻融法破碎发状念珠藻细胞,经过磷酸缓冲液提取、硫酸铵分步沉淀、离子交换层析和凝胶层析分离纯化发状念珠藻藻蓝蛋白,其纯度(A615/A280)达到5.321,纯化因子为7.623。纯化的藻蓝蛋白最大吸收峰为615nm,其室温荧光发射峰为646nm,SDS—PAGE电泳显示其d和13亚基的分子质量在14.4~18.4ku。稳定性实验表明,低温、避光、pH6~8以及低浓度的蔗糖等条件下发状念珠藻藻蓝蛋白是稳定的。实验结果将为开发利用发状念珠藻藻蓝蛋白提供参考。

  14. Effects of polar solvents on the fracture resistance of dentin: Role of water hydration

    Energy Technology Data Exchange (ETDEWEB)

    Ritchie, R O; Nalla, R K; Balooch, M; Ager III, J W; Kruzic, J J; Kinney, J H

    2004-12-10

    Although healthy dentin is invariably hydrated in vivo, from a perspective of examining the mechanisms of fracture in dentin, it is interesting to consider the role of water hydration. Furthermore, it is feasible that exposure to certain polar solvents, e.g., those found in clinical adhesives, can induce dehydration. In the present study, in vitro deformation and fracture experiments, the latter involving a resistance-curve (R-curve) approach (i.e., toughness evolution with crack extension), were conducted in order to assess changes in the constitutive and fracture behavior induced by three common solvents - acetone, ethanol and methanol. In addition, nanoindentation-based experiments to evaluate the deformation behavior at the level of individual collagen fibers and ultraviolet Raman spectroscopy to evaluate changes in bonding were performed. The results indicate a reversible effect of chemical dehydration, with increased fracture resistance, strength, and stiffness associated with lower hydrogen bonding ability of the solvent. These results are analyzed both in terms of intrinsic and extrinsic toughening phenomena to further understand the micromechanisms of fracture in dentin and the specific role of water hydration.

  15. Characterizing Natural Gas Hydrates in the Deep Water Gulf of Mexico: Applications for Safe Exploration and Production Activities

    Energy Technology Data Exchange (ETDEWEB)

    Bent, Jimmy

    2014-05-31

    In 2000 Chevron began a project to learn how to characterize the natural gas hydrate deposits in the deep water portion of the Gulf of Mexico (GOM). Chevron is an active explorer and operator in the Gulf of Mexico and is aware that natural gas hydrates need to be understood to operate safely in deep water. In August 2000 Chevron worked closely with the National Energy Technology Laboratory (NETL) of the United States Department of Energy (DOE) and held a workshop in Houston, Texas to define issues concerning the characterization of natural gas hydrate deposits. Specifically, the workshop was meant to clearly show where research, the development of new technologies, and new information sources would be of benefit to the DOE and to the oil and gas industry in defining issues and solving gas hydrate problems in deep water.

  16. Observation of a Dynamic Crossover in RNA Hydration Water which Triggers the Glass Transition in the Biopolymer

    CERN Document Server

    Chu, X; Chen, S H; Faraone, A; Fratini, E; Baglioni, Piero; Chen, Sow-Hsin; Chu, Xiang-qiang; Faraone, Antonio; Fratini, Emiliano

    2007-01-01

    High-resolution quasi-elastic neutron scattering spectroscopy was used to measure H2O and D2O hydrated RNA samples. The contribution of scattering from RNA was subtracted out by taking the difference of the signals between the two samples. The measurements were made at a series of temperatures from 270 K down to 180 K. The Relaxing-Cage Model was used to analyze the difference quasi-elastic spectra. We observed clear evidence of a fragile-to-strong dynamic crossover (FSC) at TL = 220 K in RNA hydration water. We further show that the mean-square displacement of the hydrogen atoms in both RNA and its hydration water exhibit a sharp change in slope at approximately the same temperature 220 K. This latter fact suggests that the dynamic transition (or the glass transition) in RNA is triggered by the abrupt change of mobility of the hydration water at its FSC temperature TL.

  17. Gas hydrate formation and dissociation from water-in-oil emulsions studied using PVM and FBRM particle size analysis

    Energy Technology Data Exchange (ETDEWEB)

    Boxall, J.; Greaves, D.; Mulligan, J.; Koh, C.; Dendy Sloan, E. [Colorado School of Mines, Golden, CO (United States). Dept. of Chemical Engineering, Center for Hydrate Research

    2008-07-01

    Anti-agglomerant and cold flow techniques are now being used to manage hydrate formation in pipelines. However, a greater understanding of hydrate and agglomeration processes is need to prevent plug formation. In this study, hydrate formation and agglomeration in a stirred system was used studied using particle video microscope (PVM) and focused beam reflectance measurement (FBRM) techniques. The PVM was used to obtain qualitative visual data through digital images of the black oil illuminated by lasers, while the FBRM provided details of the quantitative chord length distribution of the particles in the systems. Experiments using the techniques were conducted with crude oils with a small asphaltene content and low emulsion stability as well as with a Caratinga oil sample with higher stability and asphaltene contents. The morphology of the hydrates was analyzed and the effects of droplet size on hydrate formation and agglomeration were investigated. Experiments were also conducted to study the dissociation process using PVM and in situ conductivity measurements. An analysis of data obtained during the experiments showed that droplet size has a significant impact on the agglomeration potential. Hydrate suspensions formed from very small droplet sizes did not have the same destabilizing effect. The dissociation of agglomerates resulted in a significant destabilization of the suspension into a water-hydrate phase at the bottom of the cell until the dissociation was completed. It was concluded that dissociation within the pipeline should be prevented until the hydrates are removed from the flow line. 11 refs., 17 figs.

  18. Hydration and translocation of an excess proton in water clusters: An ab initio molecular dynamics study

    Indian Academy of Sciences (India)

    Arindam Bankura; Amalendu Chandra

    2005-10-01

    The hydration structure and translocation of an excess proton in hydrogen bonded water clusters of two different sizes are investigated by means of finite temperature quantum simulations. The simulations are performed by employing the method of Car–Parrinello molecular dynamics where the forces on the nuclei are obtained directly from `on the fly' quantum electronic structure calculations. Since no predefined interaction potentials are used in this scheme, it is ideally suited to study proton translocation processes which proceed through breaking and formation of chemical bonds. The coordination number of the hydrated proton and the index of oxygen to which the excess proton is attached are calculated along the simulation trajectories for both the clusters.

  19. Types and characteristics of drinking water for hydration in the elderly.

    Science.gov (United States)

    Casado, Ángela; Ramos, Primitivo; Rodríguez, Jaime; Moreno, Norberto; Gil, Pedro

    2015-01-01

    The role of hydration in the maintenance of health is increasingly recognized. Hydration requirements vary for each person, depending on physical activity, environmental conditions, dietary patterns, alcohol intake, health problems, and age. Elderly individuals have higher risk of developing dehydration than adults. Diminution of liquid intake and increase in liquid losses are both involved in causing dehydration in the elderly. The water used for drinking is provided through regular public water supply and the official sanitary controls ensure their quality and hygiene, granting a range of variation for most of its physical and chemical characteristics, being sometimes these differences, though apparently small, responsible for some disorders in sensitive individuals. Hence, the advantages of using bottled water, either natural mineral water or spring water, are required by law to specify their composition, their major components, and other specific parameters. It is essential to take this into account to understand the diversity of indications and favorable effects on health that certain waters can offer. PMID:24915336

  20. Calculation of Liquid Water-Hydrate-Methane Vapor Phase Equilibria from Molecular Simulations

    DEFF Research Database (Denmark)

    Jensen, Lars; Thomsen, Kaj; von Solms, Nicolas;

    2010-01-01

    Monte Carlo simulation methods for determining fluid- and crystal-phase chemical potentials are used for the first time to calculate liquid water-methane hydrate-methane vapor phase equilibria from knowledge of atomistic interaction potentials alone. The water and methane molecules are modeled...... using the TIP4P/ice potential and a united-atom Lennard-Jones potential. respectively. The equilibrium calculation method for this system has three components, (i) thermodynamic integration from a supercritical ideal gas to obtain the fluid-phase chemical potentials. (ii) calculation of the chemical...

  1. Study of Mix CO2/CH4 Hydrate Phase Transitions vs the Thickness of Surrounding Water Film

    Science.gov (United States)

    Kvamme, B.; Baig, K.; Kuznetsova, T.

    2014-12-01

    Conversion of reservoir CH4 hydrate into CO2 hydrate is an interesting option offering a win-win combination of energy production with safe long-term storage of CO2 to minimize the CO2 footprint. As described theoretically and verified experimentally, CO2 is capable of inducing and maintaining a solid state exchange process of conversion. This mechanism will be slow since it is kinetically controlled by solid state mass transport through the hydrate. In parallel to this, the injected CO2 will form new hydrate from free water trapped in pores. Heat released by this process will contribute to dissociation of in situ CH4 hydrate and thus provide a second conversion mechanism with its rate controlled by liquid state transport processes. Understanding the kinetics of gas hydrate formation and dissociation is crucial for the development of theoretical models describing gas exchange processes and providing a basis for efficient design of production schemes. In this work, we combine a non-equilibrium description of hydrate and fluid thermodynamics with the phase field theory (PFT) for simulation of phase transition kinetics. The phase field theory approach allows one to minimize the free energy while taking into account the implicit couplings to mass and heat transport as well as hydrodynamics. The hydrodynamic treatment is important to distinguish between situations when gas released in the course of dissociation will dissolve into surrounding water (slow dissociation), and more rapid dissociation creating dispersed gas bubbles that will affect the available dissociation interface and influence heat transport. We studied the conversion of CH4 hydrate into either CO2 hydrate or mixed CO2-CH4 hydrate to investigate the relative impact of the two mechanisms. The efficiency of mechanism based on formation of new CO2 hydrate will depend on the contact area between injected CO2 and liquid water. We have therefore investigated three CH4 hydrate systems surrounded by varying

  2. Prediction of Water Binding to Protein Hydration Sites with a Discrete, Semiexplicit Solvent Model.

    Science.gov (United States)

    Setny, Piotr

    2015-12-01

    Buried water molecules are ubiquitous in protein structures and are found at the interface of most protein-ligand complexes. Determining their distribution and thermodynamic effect is a challenging yet important task, of great of practical value for the modeling of biomolecular structures and their interactions. In this study, we present a novel method aimed at the prediction of buried water molecules in protein structures and estimation of their binding free energies. It is based on a semiexplicit, discrete solvation model, which we previously introduced in the context of small molecule hydration. The method is applicable to all macromolecular structures described by a standard all-atom force field, and predicts complete solvent distribution within a single run with modest computational cost. We demonstrate that it indicates positions of buried hydration sites, including those filled by more than one water molecule, and accurately differentiates them from sterically accessible to water but void regions. The obtained estimates of water binding free energies are in fair agreement with reference results determined with the double decoupling method. PMID:26642995

  3. Water around fullerene shape amphiphiles: A molecular dynamics simulation study of hydrophobic hydration

    International Nuclear Information System (INIS)

    Fullerene C60 sub-colloidal particle with diameter ∼1 nm represents a boundary case between small and large hydrophobic solutes on the length scale of hydrophobic hydration. In the present paper, a molecular dynamics simulation is performed to investigate this complex phenomenon for bare C60 fullerene and its amphiphilic/charged derivatives, so called shape amphiphiles. Since most of the unique properties of water originate from the pattern of hydrogen bond network and its dynamics, spatial, and orientational aspects of water in solvation shells around the solute surface having hydrophilic and hydrophobic regions are analyzed. Dynamical properties such as translational-rotational mobility, reorientational correlation and occupation time correlation functions of water molecules, and diffusion coefficients are also calculated. Slower dynamics of solvent molecules—water retardation—in the vicinity of the solutes is observed. Both the topological properties of hydrogen bond pattern and the “dangling” –OH groups that represent surface defects in water network are monitored. The fraction of such defect structures is increased near the hydrophobic cap of fullerenes. Some “dry” regions of C60 are observed which can be considered as signatures of surface dewetting. In an effort to provide molecular level insight into the thermodynamics of hydration, the free energy of solvation is determined for a family of fullerene particles using thermodynamic integration technique

  4. Water around fullerene shape amphiphiles: A molecular dynamics simulation study of hydrophobic hydration

    Energy Technology Data Exchange (ETDEWEB)

    Varanasi, S. R., E-mail: s.raovaranasi@uq.edu.au, E-mail: guskova@ipfdd.de; John, A. [Institut Theorie der Polymere, Leibniz-Institut für Polymerforschung Dresden e.V., Hohe Straße 6, Dresden D-01069 (Germany); Guskova, O. A., E-mail: s.raovaranasi@uq.edu.au, E-mail: guskova@ipfdd.de [Institut Theorie der Polymere, Leibniz-Institut für Polymerforschung Dresden e.V., Hohe Straße 6, Dresden D-01069 (Germany); Dresden Center for Computational Materials Science (DCMS), Technische Universität Dresden, Dresden D-01069 (Germany); Sommer, J.-U. [Institut Theorie der Polymere, Leibniz-Institut für Polymerforschung Dresden e.V., Hohe Straße 6, Dresden D-01069 (Germany); Dresden Center for Computational Materials Science (DCMS), Technische Universität Dresden, Dresden D-01069 (Germany); Institut für Theoretische Physik, Technische Universität Dresden, Zellescher Weg 17, Dresden D-01069 (Germany)

    2015-06-14

    Fullerene C{sub 60} sub-colloidal particle with diameter ∼1 nm represents a boundary case between small and large hydrophobic solutes on the length scale of hydrophobic hydration. In the present paper, a molecular dynamics simulation is performed to investigate this complex phenomenon for bare C{sub 60} fullerene and its amphiphilic/charged derivatives, so called shape amphiphiles. Since most of the unique properties of water originate from the pattern of hydrogen bond network and its dynamics, spatial, and orientational aspects of water in solvation shells around the solute surface having hydrophilic and hydrophobic regions are analyzed. Dynamical properties such as translational-rotational mobility, reorientational correlation and occupation time correlation functions of water molecules, and diffusion coefficients are also calculated. Slower dynamics of solvent molecules—water retardation—in the vicinity of the solutes is observed. Both the topological properties of hydrogen bond pattern and the “dangling” –OH groups that represent surface defects in water network are monitored. The fraction of such defect structures is increased near the hydrophobic cap of fullerenes. Some “dry” regions of C{sub 60} are observed which can be considered as signatures of surface dewetting. In an effort to provide molecular level insight into the thermodynamics of hydration, the free energy of solvation is determined for a family of fullerene particles using thermodynamic integration technique.

  5. The Hydration Structure at Yttria-Stabilized Cubic Zirconia (110)-Water Interface with Sub-Ångström Resolution

    Science.gov (United States)

    Hou, Binyang; Kim, Seunghyun; Kim, Taeho; Kim, Jongjin; Hong, Seungbum; Bahn, Chi Bum; Park, Changyong; Kim, Ji Hyun

    2016-06-01

    The interfacial hydration structure of yttria-stabilized cubic zirconia (110) surface in contact with water was determined with ~0.5 Å resolution by high-resolution X-ray reflectivity measurement. The terminal layer shows a reduced electron density compared to the following substrate lattice layers, which indicates there are additional defects generated by metal depletion as well as intrinsic oxygen vacancies, both of which are apparently filled by water species. Above this top surface layer, two additional adsorbed layers are observed forming a characteristic interfacial hydration structure. The first adsorbed layer shows abnormally high density as pure water and likely includes metal species, whereas the second layer consists of pure water. The observed interfacial hydration structure seems responsible for local equilibration of the defective surface in water and eventually regulating the long-term degradation processes. The multitude of water interactions with the zirconia surface results in the complex but highly ordered interfacial structure constituting the reaction front.

  6. Relation between soil matrix potential changes and water conversion ratios during methane hydrate formation processes in loess

    Institute of Scientific and Technical Information of China (English)

    Peng Zhang; Qingbai Wu; Guanli Jiang; Yibin Pu

    2011-01-01

    With a new apparatus designed and assembled by ourselves,the matrix potential of non-saturated loess was firstly measured and studied during methane hydrate formation processes.The experimental results showed that during two formation processes,the matrix potential changes of the loess all presented a good linear relationship with water conversion ratios.In addition,although it was well known that the secondary gas hydrate formation was easier than the initial,our experimental results showed that the initial hydrate formation efficiency in non-saturated loess was higher than that of the secondary.

  7. Phase equilibrium condition measurements in nitrogen and air clathrate hydrate forming systems at temperatures below freezing point of water

    International Nuclear Information System (INIS)

    Highlights: • Phase equilibrium conditions in the nitrogen and modelled air hydrate forming systems are measured. • Measurements are conducted at temperatures below the freezing point of water. • Results have relevance to the air hydrate formation in the ice sheets. • Measured data are quantitatively compared with the previously reported values. • Range of the equilibrium measurements was from (242 to 268) K. -- Abstract: Contained in this paper are the three phase equilibrium conditions of the (ice + clathrate hydrate + guest-rich) vapour in the (nitrogen + water) and the modelled (air + water) systems at temperatures below the freezing point of water. The precise determination of the equilibrium conditions in those systems are of importance for the analysis of the past climate change using the cored samples from the ice sheets at Antarctica and Greenland because the air hydrates keep the ancient climate signals. The mole ratio of the modelled air composed of nitrogen and oxygen is 0.790:0.210. The equilibrium conditions were measured by the batch, isochoric procedure. The temperature range of the measurements in the nitrogen hydrate forming system is (244.05 < T < 266.55) K and the corresponding equilibrium pressure range is (7.151 < p < 12.613) MPa. The temperature range of the measurements in the modelled air hydrate forming system is (242.55 < T < 267.85) K, and the corresponding equilibrium pressure range is (6.294 < p < 12.144) MPa. The data obtained quantitatively compared with the previously reported data

  8. Experimental Study on Hydrate Induction Time of Gas-Saturated Water-in-Oil Emulsion using a High-Pressure Flow Loop

    OpenAIRE

    Lv X.F.; Shi B.H.; Wang Y; Tang Y.X.; Wang L.Y.; Gong J

    2015-01-01

    Hydrate is one of the critical precipitates which have to be controlled for subsea flow assurance. The induction time of hydrate is therefore a significant parameter. However, there have been few studies on the induction time of the natural gas hydrate formation in a flow loop system. Consequently, a series of experiments were firstly performed, including water, natural gas and Diesel oil, on the hydrate induction time under various conditions such as the supercooling and supersaturation degr...

  9. Heat transfer measurements in stirred, cylindrical cells containing ethylene oxide (EO) and tetra hydro furan (THF) hydratewater solutions at temperatures between 1 – 4 °C as function of amounts and volume of hydrates present in the solutions.

    OpenAIRE

    Bru, Silje

    2014-01-01

    It is believed that heat transfer plays a major role in hydrate formation, and is also dependent on the hydrate concentration. Heat transfer during hydrate growth is an important process, which deserves a great depth of study. The aim of this present work is to analyze the heat transfer properties of hydratewater suspensions/slurries as function of hydrate concentration in the slurry. Ethylene oxide (EO) and tetrahydrofuran (THF) was used as hydrate formers. Both of these components a...

  10. On the hydration of water-entrained cement-silica systems: Combined SEM, XRD and thermal analysis in cement pastes

    International Nuclear Information System (INIS)

    Research highlights: → A new model of hydration in SF-modified cement-based systems is presented. → Internal curing in cement-based materials is described by the thermogravimetric technique. → Pozzolanic activity is limited in low water and low porosity systems. → Internal curing by superabsorbent polymers results in enhanced hydration. - Abstract: The work described in this document focuses on the hydration of low water and low porosity SF-modified cement-based materials. The hydration of the clinker compounds was followed by X-ray diffraction (XRD), differential thermal analysis (DTA) and also by means of the thermo-gravimetric technique (TGA). This study was performed in three systems, each with a different composition namely a plain cement paste, a silica fume (SF)-modified cement paste and a water-entrained SF-modified cement paste with superabsorbent polymers (SAPs). In addition to the previous experiments, the microstructure of the systems was accessed by means of the scanning electron microscopy technique (SEM). This was primarily done with the purpose of supporting some ideas that have emerged when determining the hydration of these complex systems using the former techniques. However, in this manuscript only the results found through the TGA/DTA technique will be shown. Thus, in respect to the quantification of the CH phase developing in the system, the results taken by the TGA/DTA technique enable a more feasible description of the hydration of low water and low porosity SF-modified cement systems, including systems with water-entrainment by superabsorbent polymers. The results show that for cement-based materials with the physical nature of the systems that have been studied in this work, the pozzolanic activity is limited due to lack of water and/or space to accommodate additional hydration products, and as a consequence, a surplus of silica fume is to be found in the mature material. Due to either physical or chemical constraints, the system

  11. Charge density-dependent modifications of hydration shell waters by Hofmeister ions.

    Science.gov (United States)

    Guo, Feng; Friedman, Joel M

    2009-08-12

    Gadolinium (Gd(3+)) vibronic sideband luminescence spectroscopy (GVSBLS) is used to probe, as a function of added Hofmeister series salts, changes in the OH stretching frequency derived from first-shell waters of aqueous Gd(3+) and of Gd(3+) coordinated to three different types of molecules: (i) a chelate (EDTA), (ii) structured peptides (mSE3/SE2) of the lanthanide-binding tags (LBTs) family with a single high-affinity binding site, and (iii) a calcium-binding protein (calmodulin) with four binding sites. The vibronic sideband (VSB) corresponding to the OH stretching mode of waters coordinated to Gd(3+), whose frequency is inversely correlated with the strength of the hydrogen bonding to neighboring waters, exhibits an increase in frequency when Gd(3+) becomes coordinated to either EDTA, calmodulin, or mSE3 peptide. In all of these cases, the addition of cation chloride or acetate salts to the solution increases the frequency of the vibronic band originating from the OH stretching mode of the coordinated waters in a cation- and concentration-dependent fashion. The cation dependence of the frequency increase scales with charge density of the cations, giving rise to an ordering consistent with the Hofmeister ordering. On the other hand, water Raman spectroscopy shows no significant change upon addition of these salts. Additionally, it is shown that the cation effect is modulated by the specific anion used. The results indicate a mechanism of action for Hofmeister series ions in which hydrogen bonding among hydration shell waters is modulated by several factors. High charge density cations sequester waters in a configuration that precludes strong hydrogen bonding to neighboring waters. Under such conditions, anion effects emerge as anions compete for hydrogen-bonding sites with the remaining free waters on the surface of the hydration shell. The magnitude of the anion effect is both cation and Gd(3+)-binding site specific. PMID:19603752

  12. Studies on Model Water-in-Oil (w/o) Emulsions: Phase Behavior, Emulsion Stability, and Hydrate Formation

    OpenAIRE

    Hu, Qiufei; Kelkar, Aniruddha V.; Corti, David S.; Franses, Elias I.

    2014-01-01

    Colloidal dispersions are widely encountered in several industrial settings including in ink, paint, and food formulations, as well as during subsea oil production. The present study focusses on the formation of hydrates in subsea oil pipelines from colloidal precursors that cause plugging and have tremendous environmental and economic consequences. Model systems for hydrate precursors are studied – water in cyclopentane emulsions stabilized by either SPAN 80 or AOT surfactants. The phase beh...

  13. A molecular dynamics study of model SI clathrate hydrates: the effect of guest size and guest-water interaction on decomposition kinetics.

    Science.gov (United States)

    Das, Subhadip; Baghel, Vikesh Singh; Roy, Sudip; Kumar, Rajnish

    2015-04-14

    One of the options suggested for methane recovery from natural gas hydrates is molecular replacement of methane by suitable guests like CO2 and N2. This approach has been found to be feasible through many experimental and molecular dynamics simulation studies. However, the long term stability of the resultant hydrate needs to be evaluated; the decomposition rate of these hydrates is expected to depend on the interaction between these guest and water molecules. In this work, molecular dynamics simulation has been performed to illustrate the effect of guest molecules with different sizes and interaction strengths with water on structure I (SI) hydrate decomposition and hence the stability. The van der Waals interaction between water of hydrate cages and guest molecules is defined by Lennard Jones potential parameters. A wide range of parameter spaces has been scanned by changing the guest molecules in the SI hydrate, which acts as a model gas for occupying the small and large cages of the SI hydrate. All atomistic simulation results show that the stability of the hydrate is sensitive to the size and interaction of the guest molecules with hydrate water. The increase in the interaction of guest molecules with water stabilizes the hydrate, which in turn shows a slower rate of hydrate decomposition. Similarly guest molecules with a reasonably small (similar to Helium) or large size increase the decomposition rate. The results were also analyzed by calculating the structural order parameter to understand the dynamics of crystal structure and correlated with the release rate of guest molecules from the solid hydrate phase. The results have been explained based on the calculation of potential energies felt by guest molecules in amorphous water, hydrate bulk and hydrate-water interface regions. PMID:25767053

  14. Water of Hydration Dynamics in Minerals Gypsum and Bassanite: Ultrafast 2D IR Spectroscopy of Rocks.

    Science.gov (United States)

    Yan, Chang; Nishida, Jun; Yuan, Rongfeng; Fayer, Michael D

    2016-08-01

    Water of hydration plays an important role in minerals, determining their crystal structures and physical properties. Here ultrafast nonlinear infrared (IR) techniques, two-dimensional infrared (2D IR) and polarization selective pump-probe (PSPP) spectroscopies, were used to measure the dynamics and disorder of water of hydration in two minerals, gypsum (CaSO4·2H2O) and bassanite (CaSO4·0.5H2O). 2D IR spectra revealed that water arrangement in freshly precipitated gypsum contained a small amount of inhomogeneity. Following annealing at 348 K, water molecules became highly ordered; the 2D IR spectrum became homogeneously broadened (motional narrowed). PSPP measurements observed only inertial orientational relaxation. In contrast, water in bassanite's tubular channels is dynamically disordered. 2D IR spectra showed a significant amount of inhomogeneous broadening caused by a range of water configurations. At 298 K, water dynamics cause spectral diffusion that sampled a portion of the inhomogeneous line width on the time scale of ∼30 ps, while the rest of inhomogeneity is static on the time scale of the measurements. At higher temperature, the dynamics become faster. Spectral diffusion accelerates, and a portion of the lower temperature spectral diffusion became motionally narrowed. At sufficiently high temperature, all of the dynamics that produced spectral diffusion at lower temperatures became motionally narrowed, and only homogeneous broadening and static inhomogeneity were observed. Water angular motions in bassanite exhibit temperature-dependent diffusive orientational relaxation in a restricted cone of angles. The experiments were made possible by eliminating the vast amount of scattered light produced by the granulated powder samples using phase cycling methods. PMID:27385320

  15. Acid-base balance and hydration status following consumption of mineral-based alkaline bottled water

    Directory of Open Access Journals (Sweden)

    Heil Daniel P

    2010-09-01

    Full Text Available Abstract Background The present study sought to determine whether the consumption of a mineral-rich alkalizing (AK bottled water could improve both acid-base balance and hydration status in young healthy adults under free-living conditions. The AK water contains a naturally high mineral content along with Alka-PlexLiquid™, a dissolved supplement that increases the mineral content and gives the water an alkalizing pH of 10.0. Methods Thirty-eight subjects were matched by gender and self-reported physical activity (SRPA, hrs/week and then split into Control (12 women, 7 men; Mean +/- SD: 23 +/- 2 yrs; 7.2 +/- 3.6 hrs/week SRPA and Experimental (13 women, 6 men; 22 +/- 2 yrs; 6.4 +/- 4.0 hrs/week SRPA groups. The Control group consumed non-mineralized placebo bottled water over a 4-week period while the Experimental group consumed the placebo water during the 1st and 4th weeks and the AK water during the middle 2-week treatment period. Fingertip blood and 24-hour urine samples were collected three times each week for subsequent measures of blood and urine osmolality and pH, as well as total urine volume. Dependent variables were analyzed using multivariate repeated measures ANOVA with post-hoc focused on evaluating changes over time within Control and Experimental groups (alpha = 0.05. Results There were no significant changes in any of the dependent variables for the Control group. The Experimental group, however, showed significant increases in both the blood and urine pH (6.23 to 7.07 and 7.52 to 7.69, respectively, a decreased blood and increased urine osmolality, and a decreased urine output (2.51 to 2.05 L/day, all during the second week of the treatment period (P Conclusions Consumption of AK water was associated with improved acid-base balance (i.e., an alkalization of the blood and urine and hydration status when consumed under free-living conditions. In contrast, subjects who consumed the placebo bottled water showed no changes over the

  16. Interplay of Ion-Water and Water-Water Interactions within the Hydration Shells of Nitrate and Carbonate Directly Probed with 2D IR Spectroscopy.

    Science.gov (United States)

    Fournier, Joseph A; Carpenter, William; De Marco, Luigi; Tokmakoff, Andrei

    2016-08-01

    The long-range influence of ions in solution on the water hydrogen-bond (H-bond) network remains a topic of vigorous debate. Recent spectroscopic and theoretical studies have, for the most part, reached the consensus that weakly coordinating ions only affect water molecules in the first hydration shell. Here, we apply ultrafast broadband two-dimensional infrared (2D IR) spectroscopy to aqueous nitrate and carbonate in neat H2O to study the solvation structure and dynamics of ions on opposite ends of the Hofmeister series. By exciting both the water OH stretches and ion stretches and probing the associated cross-peaks between them, we are afforded a comprehensive view into the complex nature of ion hydration. We show in aqueous nitrate that weak ion-water H-bonding leads to water-water interactions in the ion solvation shells dominating the dynamics. In contrast, the carbonate CO stretches show significant mixing with the water OH stretches due to strong ion-water H-bonding such that the water and ion modes are intimately correlated. Further, the excitonic nature of vibrations in neat H2O, which spans multiple water molecules, is an important factor in describing ion hydration. We attribute these complex dynamics to the likely presence of intermediate-range effects influenced by waters beyond the first solvation shell. PMID:27404015

  17. Probing nonlinear rheology layer-by-layer in interfacial hydration water.

    Science.gov (United States)

    Kim, Bongsu; Kwon, Soyoung; Lee, Manhee; Kim, Q Hwan; An, Sangmin; Jhe, Wonho

    2015-12-22

    Viscoelastic fluids exhibit rheological nonlinearity at a high shear rate. Although typical nonlinear effects, shear thinning and shear thickening, have been usually understood by variation of intrinsic quantities such as viscosity, one still requires a better understanding of the microscopic origins, currently under debate, especially on the shear-thickening mechanism. We present accurate measurements of shear stress in the bound hydration water layer using noncontact dynamic force microscopy. We find shear thickening occurs above ∼ 10(6) s(-1) shear rate beyond 0.3-nm layer thickness, which is attributed to the nonviscous, elasticity-associated fluidic instability via fluctuation correlation. Such a nonlinear fluidic transition is observed due to the long relaxation time (∼ 10(-6) s) of water available in the nanoconfined hydration layer, which indicates the onset of elastic turbulence at nanoscale, elucidating the interplay between relaxation and shear motion, which also indicates the onset of elastic turbulence at nanoscale above a universal shear velocity of ∼ 1 mm/s. This extensive layer-by-layer control paves the way for fundamental studies of nonlinear nanorheology and nanoscale hydrodynamics, as well as provides novel insights on viscoelastic dynamics of interfacial water. PMID:26644571

  18. Active-Site Hydration and Water Diffusion in Cytochrome P450cam: A Highly Dynamic Process

    Energy Technology Data Exchange (ETDEWEB)

    Miao, Yinglong [ORNL; Baudry, Jerome Y [ORNL

    2011-01-01

    Long-timescale molecular dynamics simulations (300 ns) are performed on both the apo- (i.e., camphor-free) and camphor-bound cytochrome P450cam (CYP101). Water diffusion into and out of the protein active site is observed without biased sampling methods. During the course of the molecular dynamics simulation, an average of 6.4 water molecules is observed in the camphor-binding site of the apo form, compared to zero water molecules in the binding site of the substrate-bound form, in agreement with the number of water molecules observed in crystal structures of the same species. However, as many as 12 water molecules can be present at a given time in the camphor-binding region of the active site in the case of apo-P450cam, revealing a highly dynamic process for hydration of the protein active site, with water molecules exchanging rapidly with the bulk solvent. Water molecules are also found to exchange locations frequently inside the active site, preferentially clustering in regions surrounding the water molecules observed in the crystal structure. Potential-of-mean-force calculations identify thermodynamically favored trans-protein pathways for the diffusion of water molecules between the protein active site and the bulk solvent. Binding of camphor in the active site modifies the free-energy landscape of P450cam channels toward favoring the diffusion of water molecules out of the protein active site.

  19. Effects of Water Provision and Hydration on Cognitive Function among Primary-School Pupils in Zambia: A Randomized Trial

    Science.gov (United States)

    Trinies, Victoria; Chard, Anna N.; Mateo, Tommy; Freeman, Matthew C.

    2016-01-01

    There is a well-established link between hydration and improved cognitive performance among adults, with evidence of similar findings among children. No trials have investigated the impact of water provision on cognitive performance among schoolchildren in hot and arid low-resource settings. We conducted a randomized-controlled trial in five schools with limited water access in Chipata district in Eastern province, Zambia, to assess the efficacy of water provision on cognition. Pupils in grades 3–6 were randomly assigned to either receive a bottle of drinking water that they could refill throughout the day (water group, n = 149) or only have access to drinking water that was normally available at the school (control group, n = 143). Hydration was assessed in the morning before provision of water and in the afternoon through urine specific gravity (Usg) measured with a portable refractometer. In the afternoon we administered six cognitive tests to assess short-term memory, concentration, visual attention, and visual motor skills. Morning prevalence of dehydration, defined as Usg≥1.020, was 42%. Afternoon dehydration increased to 67% among the control arm and dropped to 10% among the intervention arm. We did not find that provision of water or hydration impacted cognitive test scores, although there were suggestive relationships between both water provision and hydration and increased scores on tests measuring visual attention. We identified key improvements to the study design that are warranted to further investigate this relationship. Trial Registration: ClinicalTrials.gov NCT01924546 PMID:26950696

  20. Structural Interpretation of the Large Slowdown of Water Dynamics at Stacked Phospholipid Membranes for Decreasing Hydration Level: All-Atom Molecular Dynamics

    Directory of Open Access Journals (Sweden)

    Carles Calero

    2016-04-01

    Full Text Available Hydration water determines the stability and function of phospholipid membranes as well as the interaction of membranes with other molecules. Experiments and simulations have shown that water dynamics slows down dramatically as the hydration decreases, suggesting that the interfacial water that dominates the average dynamics at low hydration is slower than water away from the membrane. Here, based on all-atom molecular dynamics simulations, we provide an interpretation of the slowdown of interfacial water in terms of the structure and dynamics of water–water and water–lipid hydrogen bonds (HBs. We calculate the rotational and translational slowdown of the dynamics of water confined in stacked phospholipid membranes at different levels of hydration, from completely hydrated to poorly hydrated membranes. For all hydrations, we analyze the distribution of HBs and find that water–lipids HBs last longer than water–water HBs and that at low hydration most of the water is in the interior of the membrane. We also show that water–water HBs become more persistent as the hydration is lowered. We attribute this effect (i to HBs between water molecules that form, in turn, persistent HBs with lipids; (ii to the hindering of the H-bonding switching between water molecules due to the lower water density at the interface; and (iii to the higher probability of water–lipid HBs as the hydration decreases. Our interpretation of the large dynamic slowdown in water under dehydration is potentially relevant in understanding membrane biophysics at different hydration levels.

  1. A Phase-Field Approach to Modeling Hydrate Formation on Methane Gas Bubbles in a Water Column

    Science.gov (United States)

    Fu, X.; Cueto-Felgueroso, L.; Waite, W. F.; Ruppel, C. D.; Juanes, R.

    2014-12-01

    Methane hydrates are water-based crystalline solids, where gas molecules are trapped inside the lattice structure formed by water. Most commonly found in deep ocean floors where low temperature and high pressure are primal conditions for hydrate to form, gas hydrates contain most of the world's mobile carbon and yet it remains an important and open question how methane leakage from gas hydrate impacts ocean and the atmosphere. While current work focus on the breakdown of gas hydrate in marine environment and the the release of methane from seafloor, few studies explore the fate of a single or a plume of methane bubbles when entering the water column after the release. We propose to study the fate of an individual and a series of methane bubbles through mathematical modeling, specifically using a phase-field approach. Phase-field modeling is a mathematical framework that describes systems that are out of thermodynamic equilibrium. First introduced in the context of solidification process and phase transitions, it has since been adopted in the field of multiphase flow. In this work, we present a new phase-field formulation for multiphase/multicomponent flows that allows us to model the fate of methane bubbles in the water system as a nonequilibrium process.

  2. A feasibility study for the use of kinetic hydrate inhibitors in deep water drilling fluids

    Energy Technology Data Exchange (ETDEWEB)

    Kelland, M.A. [Stavanger Univ., Stavanger (Norway). Dept. of Mathematics and Natural Sciences; Monig, K.; Iversen, J.E.; Lekvam, K. [International Research Inst. of Stavanger, Stavanger (Norway)

    2008-07-01

    Kinetic hydrate inhibitors (KHIs) are water-soluble polymers used to delay the nucleation and growth of gas hydrate crystals. This study evaluated the feasibility of using KHIs in deep water drilling fluids. Laboratory experiments were conducted to test a range of neutral, anionic, and cationic commercial and non-commercial KHIs for their compatibility with saline drilling fluids. The KHIs were then tested in a sapphire cell at pressures of up to 300 bar and at temperatures as low as 0.9 degrees C. Tests were also conducted to determine the effect of different types of clay on the KHI fluids. Performance tests were conducted with KHIs dissolved in drilling mud at 6000 ppm placed within the magnet housing of the cell. Results of the study showed that both pressure and subcooling have a significant influence on KHI performance. The study showed that several KHIs provided subcooling protection in the presence of low-active clays or drilling cuttings. However, the performance of the KHIs was greatly reduced in the presence of highly active clays such as Wyoming bentonite. It was concluded that additions of xanthan to bentonite and KHI mixtures improved KHI performance due to the preferential adsorption of the xanthan on the clay surface. 14 refs., 7 tabs., 2 figs.

  3. Tetrahydrofuran Clathrate Hydrate Formation

    OpenAIRE

    Conrad, Heiko; Lehmkuhler, Felix; Sternemann, Christian; Sakko, Arto; Paschek, Dietmar; Simonelli, Laura; Huotari, Simo; Feroughi, Omid; Tolan, Metin; HÀmÀlÀinen, Keijo

    2009-01-01

    We report on the formation of tetrahydrofuran clathrate hydrate studied by x-ray Raman scattering measurements at the oxygen K edge. A comparison of x-ray Raman spectra measured from water-tetrahydrofuran mixtures and tetrahydrofuran hydrate at different temperatures supports stochastic hydrate formation models rather than models assuming hydrate precursors. This is confirmed by molecular dynamics simulations and density functional theory calculations of x-ray Raman spectra. In addition, chan...

  4. Gas Hydrates

    International Nuclear Information System (INIS)

    Gas hydrates are solid, similar to the ice and made up of rigid cages of water molecules, that they contain gas molecules, mainly methane, they can be formed and to remain stable to discharges pressures and relatively low temperatures, since present enough quantity of hydrocarbons is. The presence of the Gas Hydrates has been detected in high latitudes under the permafrost (Siberia and Alaska) and under the deep marine in silts of continental margins and elevations of the sea bottom (coast out California, Bearing Sea, Beaufort sea, coast out Newfoundland, Baltimore Canyon, Mexico Gulf and Colombian basin among other) its presence has also been postulated in intracratonics basins like in the Black and Caspio Sea. Gas hydrates have been known from 1810, but only in 1934 the first publication appeared (Hammer Schmidt) in connection with the gas piper line for the hydrates formation. The geologic occurrence is known from 1960 with the discovery for the Russian of Messoyakha Field (Siberia) and in 1972 for Arch-Exxon in the well Eilleen State 2 in Alaska. The quantity of gas present in the gas hydrates postulated in the world is considered that 18 x 1015 m3 could reach (6.5 x 105 American Quintillion cubic feet) the above-mentioned means that there would be more carbon in the gas hydrates than the acquaintance twice or estimated in the reservations of fossil fuels of the world and that this energy source could replace the world necessities until the X XI century. In Colombia two areas have been postulated with gas hydrates: Colombian basin in the Caribbean Sea and the Panama Basin

  5. Total allowable concentrations of monomeric inorganic aluminum and hydrated aluminum silicates in drinking water.

    Science.gov (United States)

    Willhite, Calvin C; Ball, Gwendolyn L; McLellan, Clifton J

    2012-05-01

    Maximum contaminant levels are used to control potential health hazards posed by chemicals in drinking water, but no primary national or international limits for aluminum (Al) have been adopted. Given the differences in toxicological profiles, the present evaluation derives total allowable concentrations for certain water-soluble inorganic Al compounds (including chloride, hydroxide, oxide, phosphate and sulfate) and for the hydrated Al silicates (including attapulgite, bentonite/montmorillonite, illite, kaolinite) in drinking water. The chemistry, toxicology and clinical experience with Al materials are extensive and depend upon the particular physical and chemical form. In general, the water solubility of the monomeric Al materials depends on pH and their water solubility and gastrointestinal bioavailability are much greater than that of the hydrated Al silicates. Other than Al-containing antacids and buffered aspirin, food is the primary source of Al exposure for most healthy people. Systemic uptake of Al after ingestion of the monomeric salts is somewhat greater from drinking water (0.28%) than from food (0.1%). Once absorbed, Al accumulates in bone, brain, liver and kidney, with bone as the major site for Al deposition in humans. Oral Al hydroxide is used routinely to bind phosphate salts in the gut to control hyperphosphatemia in people with compromised renal function. Signs of chronic Al toxicity in the musculoskeletal system include a vitamin D-resistant osteomalacia (deranged membranous bone formation characterized by accumulation of the osteoid matrix and reduced mineralization, reduced numbers of osteoblasts and osteoclasts, decreased lamellar and osteoid bands with elevated Al concentrations) presenting as bone pain and proximal myopathy. Aluminum-induced bone disease can progress to stress fractures of the ribs, femur, vertebrae, humerus and metatarsals. Serum Al ≥100 µg/L has a 75-88% positive predictive value for Al bone disease. Chronic Al

  6. Lanthanoids(III) and actinoids(III) in water: Diffusion coefficients and hydration enthalpies from polarizable molecular dynamics simulations

    International Nuclear Information System (INIS)

    By using polarizable molecular dynamics (MD) simulations of lanthanoid(III) and actinoid(III) ions in water, we obtained ionic diffusion coefficients and hydration enthalpies for both series. These values are in good agreement with experiments. Simulations thus allow us to relate them to microscopic structure. In particular, across the series the diffusion coefficients decrease, reflecting the increase of ion-water interaction. Hydration enthalpies also show that interactions increase from light to heavy ions in agreement with experiment. The apparent contradictory result of the decrease of the diffusion coefficient with decreasing ionic radius is tentatively explained in terms of dielectric friction predominance on Stokes' diffusive regime. (authors)

  7. A Theoretical Study of the Hydration of Methane, from the Aqueous Solution to the sI Hydrate-Liquid Water-Gas Coexistence

    Directory of Open Access Journals (Sweden)

    Daniel Porfirio Luis

    2016-05-01

    Full Text Available Monte Carlo and molecular dynamics simulations were done with three recent water models TIP4P/2005 (Transferable Intermolecular Potential with 4 Points/2005, TIP4P/Ice (Transferable Intermolecular Potential with 4 Points/ Ice and TIP4Q (Transferable Intermolecular Potential with 4 charges combined with two models for methane: an all-atom one OPLS-AA (Optimal Parametrization for the Liquid State and a united-atom one (UA; a correction for the C–O interaction was applied to the latter and used in a third set of simulations. The models were validated by comparison to experimental values of the free energy of hydration at 280, 300, 330 and 370 K, all under a pressure of 1 bar, and to the experimental radial distribution functions at 277, 283 and 291 K, under a pressure of 145 bar. Regardless of the combination rules used for σC,O, good agreement was found, except when the correction to the UA model was applied. Thus, further simulations of the sI hydrate were performed with the united-atom model to compare the thermal expansivity to the experiment. A final set of simulations was done with the UA methane model and the three water models, to study the sI hydrate-liquid water-gas coexistence at 80, 230 and 400 bar. The melting temperatures were compared to the experimental values. The results show the need to perform simulations with various different models to attain a reliable and robust molecular image of the systems of interest.

  8. A Theoretical Study of the Hydration of Methane, from the Aqueous Solution to the sI Hydrate-Liquid Water-Gas Coexistence.

    Science.gov (United States)

    Luis, Daniel Porfirio; García-González, Alcione; Saint-Martin, Humberto

    2016-01-01

    Monte Carlo and molecular dynamics simulations were done with three recent water models TIP4P/2005 (Transferable Intermolecular Potential with 4 Points/2005), TIP4P/Ice (Transferable Intermolecular Potential with 4 Points/ Ice) and TIP4Q (Transferable Intermolecular Potential with 4 charges) combined with two models for methane: an all-atom one OPLS-AA (Optimal Parametrization for the Liquid State) and a united-atom one (UA); a correction for the C-O interaction was applied to the latter and used in a third set of simulations. The models were validated by comparison to experimental values of the free energy of hydration at 280, 300, 330 and 370 K, all under a pressure of 1 bar, and to the experimental radial distribution functions at 277, 283 and 291 K, under a pressure of 145 bar. Regardless of the combination rules used for σC,O, good agreement was found, except when the correction to the UA model was applied. Thus, further simulations of the sI hydrate were performed with the united-atom model to compare the thermal expansivity to the experiment. A final set of simulations was done with the UA methane model and the three water models, to study the sI hydrate-liquid water-gas coexistence at 80, 230 and 400 bar. The melting temperatures were compared to the experimental values. The results show the need to perform simulations with various different models to attain a reliable and robust molecular image of the systems of interest. PMID:27240339

  9. 13C MAS NMR studies of the effects of hydration on the cell walls of potatoes and Chinese water chestnuts.

    Science.gov (United States)

    Tang, H; Belton, P S; Ng, A; Ryden, P

    1999-02-01

    13C NMR with magic angle spinning (MAS) has been employed to investigate the cell walls of potatoes and Chinese water chestnuts over a range of hydration levels. Both single-pulse excitation (SPEMAS) and cross-polarization (CPMAS) experiments were carried out. Hydration led to a substantial increase in signal intensities of galactan and galacturonan in the SPEMAS spectra and a decrease in line width, implying mobilization in the backbone and side chains of pectin. In CPMAS spectra of both samples, noncellulose components showed signal loss as hydration increased. However, the signals of some galacturonan in the 3(1) helix configuration remained in the spectra even when the water content was as high as 110%. Cellulose was unaffected. It is concluded that the pectic polysaccharides experience a distribution of molecular conformations and mobility, whereas cellulose remained as typical rigid solid. PMID:10563925

  10. ELIMINATION OF URINE IN RESPONSE TO WATER INTAKE IS CONSISTENT IN WELL-HYDRATED INDIVIDUALS

    Directory of Open Access Journals (Sweden)

    Catalina Capitán-Jiménez

    2010-12-01

    Full Text Available A simple method has been recently proposed to assess acute hydration status in humans; however, several questions remain regarding its reliability, validity, and practicality. Objective: Establish reliability of a simple method to assess euhydration, that is, to analyze whether this method can be used as a consistent indicator of a person´s hydration status. In addition, the study sought to assess the effect exercise has on urine volume when euhydration is maintained and a standardized volume of water is ingested. Methods: Five healthy physically active men and five healthy physically active women, 22.5 ± 2.3 years of age (mean ± standard deviation reported to the laboratory after fasting for 10 hours or more on three occasions, each one week apart. During the two identical resting euhydration conditions (EuA and EuB, participants remained seated for 45 minutes. During the exercise condition (EuExer, participants exercised intermittently in an environmental chamber (average temperature and relative humidity = 32 ± 3°C and 65 ± 7%, respectively for a period of 45 minutes and drank water to offset loss due to sweating. The order of treatments was randomized. Upon finishing the treatment period, they ingested a volume of water equivalent to 1.43% body mass (BM within 30 minutes. Urine was collected and measured henceforth every 30 minutes for 3 hours. Results: Urine volume eliminated during EuExer (1205 ± 399.5 ml was not different from EuB (1072.2±413.1 ml or EuA (1068 ± 382.87 ml (p-value = 0.44. Both resting conditions were practically identical (p-value = 0.98 and presented a strong intraclass correlation (r = 0.849, p-value = 0.001. Conclusions: This method, besides simple, proved to be consistent in all conditions; therefore, it can be used with the certainty that measurements are valid and reliable.

  11. Comparison of the rate constants for energy transfer in the light-harvesting protein, C-phycocyanin, calculated from Foerster`s theory and experimentally measured by time-resolved fluorescence spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Debreczeny, M.P.

    1994-05-01

    We have measured and assigned rate constants for energy transfer between chromophores in the light-harvesting protein C-phycocyanin (PC), in the monomeric and trimeric aggregation states, isolated from Synechococcus sp. PCC 7002. In order to compare the measured rate constants with those predicted by Fdrster`s theory of inductive resonance in the weak coupling limit, we have experimentally resolved several properties of the three chromophore types ({beta}{sub 155} {alpha}{sub 84}, {beta}{sub 84}) found in PC monomers, including absorption and fluorescence spectra, extinction coefficients, fluorescence quantum yields, and fluorescence lifetimes. The cpcB/C155S mutant, whose PC is missing the {beta}{sub 155} chromophore, was, useful in effecting the resolution of the chromophore properties and in assigning the experimentally observed rate constants for energy transfer to specific pathways.

  12. Evaluation of Hydrate Inhibition Performance of Water-soluble Polymers using Torque Measurement and Differential Scanning Calorimeter

    Energy Technology Data Exchange (ETDEWEB)

    Shin, Kyuchul; Park, Juwoon; Kim, Jakyung; Kim, Hyunho; Seo, Yutaek [KAIST, Daejeon (Korea, Republic of); Lee, Yohan; Seo, Yongwon [UNIST, Ulsan (Korea, Republic of)

    2014-12-15

    In this work, hydrate inhibition performance of water-soluble polymers including pyrrolidone, caprolactam, acrylamide types were evaluated using torque measurement and high pressure differential scanning calorimeter (HP µ-DSC). The obtained experimental results suggest that the studied polymers represent the kinetic hydrate inhibition (KHI) performance. 0.5 wt% polyvinylcaprolactam (PVCap) solution shows the hydrate onset time of 34.4 min and subcooling temperature of 15.9 K, which is better KHI performance than that of pure water - hydrate onset time of 12.3 min and subcooling temperature of 6.0 K. 0.5 wt% polyvinylpyrrolidone (PVP) solution shows the hydrate onset time of 27.6 min and the subcooling temperature of 13.2 K while polyacrylamide-co-acrylic acid partial sodium salt (PAM-co-AA) solution shows less KHI performance than PVP solution at both 0.5 and 5.0 wt%. However, PAM-co-AA solution shows slow growth rate and low hydrate amount than PVCap. In addition to hydrate onset and growth condition, torque change with time was investigated as one of KHI evaluation methods. 0.5 wt% PVCap solution shows the lowest average torque of 6.4 N cm and 0.5 wt% PAM-co-AA solution shows the average torque of 7.2 N cm. For 0.5 wt% PVP solution, it increases 11.5 N cm and 5.0 wt% PAM-co-AA solution shows the maximum average torque of 13.4 N cm, which is similar to the average torque of pure water, 15.2 N cm. Judging from the experimental results obtained by both an autoclave and a HP µ-DSC, the PVCap solution shows the best performance among the KHIs in terms of delaying hydrate nucleation. From these results, it can be concluded that the torque change with time is useful to identify the flow ability of tested solution, and the further research on the inhibition of hydrate formation can be approached in various aspects using a HP µ-DSC.

  13. Evaluation of Hydrate Inhibition Performance of Water-soluble Polymers using Torque Measurement and Differential Scanning Calorimeter

    International Nuclear Information System (INIS)

    In this work, hydrate inhibition performance of water-soluble polymers including pyrrolidone, caprolactam, acrylamide types were evaluated using torque measurement and high pressure differential scanning calorimeter (HP µ-DSC). The obtained experimental results suggest that the studied polymers represent the kinetic hydrate inhibition (KHI) performance. 0.5 wt% polyvinylcaprolactam (PVCap) solution shows the hydrate onset time of 34.4 min and subcooling temperature of 15.9 K, which is better KHI performance than that of pure water - hydrate onset time of 12.3 min and subcooling temperature of 6.0 K. 0.5 wt% polyvinylpyrrolidone (PVP) solution shows the hydrate onset time of 27.6 min and the subcooling temperature of 13.2 K while polyacrylamide-co-acrylic acid partial sodium salt (PAM-co-AA) solution shows less KHI performance than PVP solution at both 0.5 and 5.0 wt%. However, PAM-co-AA solution shows slow growth rate and low hydrate amount than PVCap. In addition to hydrate onset and growth condition, torque change with time was investigated as one of KHI evaluation methods. 0.5 wt% PVCap solution shows the lowest average torque of 6.4 N cm and 0.5 wt% PAM-co-AA solution shows the average torque of 7.2 N cm. For 0.5 wt% PVP solution, it increases 11.5 N cm and 5.0 wt% PAM-co-AA solution shows the maximum average torque of 13.4 N cm, which is similar to the average torque of pure water, 15.2 N cm. Judging from the experimental results obtained by both an autoclave and a HP µ-DSC, the PVCap solution shows the best performance among the KHIs in terms of delaying hydrate nucleation. From these results, it can be concluded that the torque change with time is useful to identify the flow ability of tested solution, and the further research on the inhibition of hydrate formation can be approached in various aspects using a HP µ-DSC

  14. Experimental Study on Hydrate Induction Time of Gas-Saturated Water-in-Oil Emulsion using a High-Pressure Flow Loop

    Directory of Open Access Journals (Sweden)

    Lv X.F.

    2015-11-01

    Full Text Available Hydrate is one of the critical precipitates which have to be controlled for subsea flow assurance. The induction time of hydrate is therefore a significant parameter. However, there have been few studies on the induction time of the natural gas hydrate formation in a flow loop system. Consequently, a series of experiments were firstly performed, including water, natural gas and Diesel oil, on the hydrate induction time under various conditions such as the supercooling and supersaturation degree, water cut, anti-agglomerant dosage, etc. The experiments were conducted in a high-pressure hydrate flow loop newly constructed in the China University of Petroleum (Beijing, and dedicated to flow assurance studies. Then, based on previous research, this study puts forward a method for induction time, which is characterized by clear definition, convenient measurement and good generality. Furthermore, we investigated the influences of the experimental parameters and analyzed the experimental phenomena for the hydrate induction time in a flowing system.

  15. Initial hydration steps in lipase studied by means of water sorption isotherms, FTIR spectroscopy and thermally stimulated depolarization currents

    International Nuclear Information System (INIS)

    The role of water in lipases, a class of proteins endowed with a large external hydrophobic surface, is not yet fully understood. To analyse the water-related structural properties and the possible implications for the protein functionality, three experimental techniques such as water sorption isotherms, thermally stimulated depolarization currents (TSDCs), and Fourier transform infrared spectroscopy were applied to pellets and/or films of lipase from Candida lipolytica, prepared at very low hydration degrees h, ranging between 0.003 and 0.457 gwater/gprotein. Two main broad TSDC bands (a weak one peaking at T≅160 K and a strong one at T≅260 K) were detected. The peak amplitudes and positions critically depend not only on the water content, but also on the previous hydration history of the sample. FTIR spectra monitored: (1) the amplitude and position changes of the characteristic optical absorption bands (amide A, B, I, and II) as a function of the humidity level, (2) the presence of a considerable amount of β-sheet structure at high hydration degrees, and (3) a conformational transition induced by drastic dehydration treatments. Complementary sorption isotherms, performed by means of a gravimetric method, showed a marked hysteresis in the lipase-aqueous solvent interaction. The whole set of results provides a model for the initial steps of the lipase hydration kinetics. At h=0.009, 13 water molecules are buried in the macromolecule, probably bound to the peptidic backbone. At h = 0.037 all polar and charged free groups are hydrated. At higher h a solution phase begins, and at h=0.457 about 660 water molecules are accommodated around the protein, giving rise to three to four complete layer coverages. (author)

  16. Hydrated proton and hydroxide charge transfer at the liquid/vapor interface of water

    Energy Technology Data Exchange (ETDEWEB)

    Soniat, Marielle; Rick, Steven W., E-mail: srick@uno.edu [Department of Chemistry, University of New Orleans, New Orleans, Louisiana 70148 (United States); Kumar, Revati [Department of Chemistry, Louisiana State University, Baton Rouge, Louisiana 70808 (United States)

    2015-07-28

    The role of the solvated excess proton and hydroxide ions in interfacial properties is an interesting scientific question with applications in a variety of aqueous behaviors. The role that charge transfer (CT) plays in interfacial behavior is also an unsettled question. Quantum calculations are carried out on clusters of water with an excess proton or a missing proton (hydroxide) to determine their CT. The quantum results are applied to analysis of multi-state empirical valence bond trajectories. The polyatomic nature of the solvated excess proton and hydroxide ion results in directionally dependent CT, depending on whether a water molecule is a hydrogen bond donor or acceptor in relation to the ion. With polyatomic molecules, CT also depends on the intramolecular bond distances in addition to intermolecular distances. The hydrated proton and hydroxide affect water’s liquid/vapor interface in a manner similar to monatomic ions, in that they induce a hydrogen-bonding imbalance at the surface, which results in charged surface waters. This hydrogen bond imbalance, and thus the charged waters at the surface, persists until the ion is at least 10 Å away from the interface.

  17. In Situ Characterization of Hydrated Proteins in Water by SALVI and ToF-SIMS

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Jiachao; Zhou, Yufan; Hua, Xin; Zhu, Zihua; Yu, Xiao-Ying

    2016-02-15

    We demonstrate in situ chemical imaging of protein biomolecules in the aqueous solution using System for Analysis at the Liquid Vacuum Interface (SALVI) and time-of-flight secondary ion mass spectrometry (ToF-SIMS). The fibronectin protein film was immobilized on the silicon nitride (SiN) membrane forming the SALVI detection area. During ToF-SIMS analysis, three modes of analysis were conducted including high spatial resolution mass spectra, two-dimensional (2D) imaging, and depth profiling. Mass spectra were acquired in both positive and negative modes. Deionized water was also analyzed as a reference sample. Our results show that fibronectin film in water has more distinct and stronger water cluster peaks compared to water alone. Characteristic peaks of amino acid fragments are also observable in the hydrated protein ToF-SIMS spectra. These results illustrate that protein molecule adsorption on a surface can be studied dynamically using SALVI and ToF-SIMS in the liquid environment.

  18. Hydrated proton and hydroxide charge transfer at the liquid/vapor interface of water

    International Nuclear Information System (INIS)

    The role of the solvated excess proton and hydroxide ions in interfacial properties is an interesting scientific question with applications in a variety of aqueous behaviors. The role that charge transfer (CT) plays in interfacial behavior is also an unsettled question. Quantum calculations are carried out on clusters of water with an excess proton or a missing proton (hydroxide) to determine their CT. The quantum results are applied to analysis of multi-state empirical valence bond trajectories. The polyatomic nature of the solvated excess proton and hydroxide ion results in directionally dependent CT, depending on whether a water molecule is a hydrogen bond donor or acceptor in relation to the ion. With polyatomic molecules, CT also depends on the intramolecular bond distances in addition to intermolecular distances. The hydrated proton and hydroxide affect water’s liquid/vapor interface in a manner similar to monatomic ions, in that they induce a hydrogen-bonding imbalance at the surface, which results in charged surface waters. This hydrogen bond imbalance, and thus the charged waters at the surface, persists until the ion is at least 10 Å away from the interface

  19. Multicomponent seismic methods for characterizing gas hydrate occurrences and systems in deep-water Gulf of Mexico

    Science.gov (United States)

    Haines, Seth S.; Lee, Myung W.; Collett, Timothy S.; Hardage, Bob A.

    2011-01-01

    In-situ characterization and quantification of natural gas hydrate occurrences remain critical research directions, whether for energy resource, drilling hazard, or climate-related studies. Marine multicomponent seismic data provide the full seismic wavefield including partial redundancy, and provide a promising set of approaches for gas hydrate characterization. Numerous authors have demonstrated the possibilities of multicomponent data at study sites around the world. We expand on this work by investigating the utility of very densely spaced (10’s of meters) multicomponent receivers (ocean-bottom cables, OBC, or ocean-bottom seismometers, OBS) for gas hydrate studies in the Gulf of Mexico and elsewhere. Advanced processing techniques provide high-resolution compressional-wave (PP) and converted shearwave (PS) reflection images of shallow stratigraphy, as well as P-wave and S-wave velocity estimates at each receiver position. Reflection impedance estimates can help constrain velocity and density, and thus gas hydrate saturation. Further constraint on velocity can be determined through identification of the critical angle and associated phase reversal in both PP and PS wideangle data. We demonstrate these concepts with examples from OBC data from the northeast Green Canyon area and numerically simulated OBS data that are based on properties of known gas hydrate occurrences in the southeast (deeper water) Green Canyon area. These multicomponent data capabilities can provide a wealth of characterization and quantification information that is difficult to obtain with other geophysical methods.

  20. Hydration or dehydration: competing effects of upper tropospheric cloud radiation on the TTL water vapor

    Directory of Open Access Journals (Sweden)

    L. Wu

    2012-08-01

    Full Text Available A tropical channel version of the Weather Research and Forecasting (WRF model is used to investigate the radiative impacts of upper tropospheric clouds on water vapor in the tropical tropopause layer (TTL. The WRF simulations of cloud radiative effects and water vapor in the upper troposphere and lower stratosphere show reasonable agreement with observations, including approximate reproduction of the water vapor "tape recorder" signal. By turning on and off the upper tropospheric cloud radiative effect (UTCRE above 200 hPa, we find that UTCRE induces a warming of 0.76 K and a moistening of 9% in the upper troposphere at 215 hPa. However, UTCRE cools and dehydrates the TTL, with a cooling of 0.82 K and a dehydration of 16% at 100 hPa. The enhanced vertical ascent due to UTCRE contributes substantially to mass transport and the dehydration in the TTL. The hydration due to the enhanced vertical transport is counteracted by the dehydration from adiabatic cooling associated with the enhanced vertical motion. UTCRE also substantially changes the horizontal winds in the TTL, resulting in shifts of the strongest dehydration away from the lowest temperature anomalies in the TTL. UTCRE increases in-situ cloud formation in the TTL. A seasonal variation is shown in the simulated UTCRE, with stronger impact in the moist phase from June to November than in the dry phase from December to May.

  1. Hydration or dehydration: competing effects of upper tropospheric cloud radiation on the TTL water vapor

    Directory of Open Access Journals (Sweden)

    L. Wu

    2012-02-01

    Full Text Available A tropical channel version of the Weather Research and Forecasting (WRF model is used to investigate the radiative impacts of upper tropospheric clouds on water vapor in the tropical tropopause layer (TTL. The WRF simulations of cloud radiative effects and water vapor in the upper troposphere and lower stratosphere show reasonable agreement with observations, including approximate reproduction of the water vapor "tape recorder" signal. By turning on and off the upper tropospheric cloud radiative effect (UTCRE above 200 hPa, we find that the UTCRE induces a warming of 0.76 K and a moistening of 9% in the upper troposphere at 215 hPa. However, the UTCRE cools and dehydrates the TTL, with a cooling of 0.82 K and a dehydration of 16% at 100 hPa. The enhanced vertical ascent due to the UTCRE contributes substantially to mass transport and the dehydration in the TTL. The hydration due to the enhanced vertical transport is counteracted by the dehydration from adiabatic cooling associated with the enhanced vertical motion. The UTCRE also substantially changes the horizontal winds in the TTL, resulting in shifts of the strongest dehydration away from the lowest temperature anomalies in the TTL. The UTCRE increases in-situ cloud formation in the TTL. A seasonal variation is shown in the simulated UTCRE, with stronger impact in the moist phase from June to November than in the dry phase from December to May.

  2. Ternary phase behaviour and vesicle formation of a sodium N-lauroylsarcosinate hydrate/1-decanol/water system

    Science.gov (United States)

    Akter, Nasima; Radiman, Shahidan; Mohamed, Faizal; Rahman, Irman Abdul; Reza, Mohammad Imam Hasan

    2011-08-01

    The phase behaviour of a system composed of amino acid-based surfactant (sodium N-lauroylsarcosinate hydrate), 1-decanol and deionised water was investigated for vesicle formation. Changing the molar ratio of the amphiphiles, two important aggregate structures were observed in the aqueous corner of the phase diagram. Two different sizes of microemulsions were found at two amphiphile-water boundaries. A stable single vesicle lobe was found for 1∶2 molar ratios in 92 wt% water with vesicles approximately 100 nm in size and with high zeta potential value. Structural variation arises due to the reduction of electrostatic repulsions among the ionic headgroups of the surfactants and the hydration forces due to adsorbed water onto monolayer's. The balance of these two forces determines the aggregate structures. Analysis was followed by the molecular geometrical structure. These findings may have implications for the development of drug delivery systems for cancer treatments, as well as cosmetic and food formulations.

  3. Gas Hydrates

    International Nuclear Information System (INIS)

    The hydrates of gas are solid, similar to the ice, made up of rigid cages of molecules of water that they contain molecules of gas, mainly methane. They can be formed and to remain stable to discharges pressures and relatively low temperatures, since present enough quantity of hydrocarbons. The quantity of present gas in the hydrates of gas postulated in the world is considered that could reach 18 x 10 15 m3 (6.5 x 10 5 TCF - American trillion cubic feet). The above mentioned means that there would be more carbon in the hydrates of gas than the acquaintance twice or estimated in the reservations of fossil fuels of the world. And that this energy source could replace the world necessities until the X XI Century. In Colombia two areas have been postulated with hydrates of Gas: the Colombian basin in the Caribbean Sea and the Panama Basin in the Pacific Ocean, with dear reservations of gas that overcome 120 and 300 TCF respectively. These quantities are very favorably compared with the conventional Colombian reservations of gas of only 11 TCF

  4. Positron annihilation and nuclear magnetic resonance study of the phase behavior of water confined in mesopores at different levels of hydration.

    Science.gov (United States)

    Maheshwari, Priya; Dutta, Dhanadeep; Mukherjee, Saurabh; Madhu, Perunthiruthy K; Mote, Kaustubh R; Pujari, Pradeep K

    2016-05-14

    We investigated the molecular origin of the phase behavior of water confined in MCM 41 mesopores at different levels of hydration using positron annihilation spectroscopic and nuclear magnetic resonance techniques. The level of hydration influenced the phase behavior of the nanoconfined water. Two transitions above and below the bulk freezing temperature were observed depending on the level of hydration. At the highest level of hydration, nucleation seemed to predominate over the effect of confinement, leading to the complete freezing of water, whereas disrupted H-bonding dominated at the lowest level of hydration, leading to the disappearance of the transitions. A transition at c. T = 188 K (close to the reported glass transition temperature of interface-affected water) was observed at intermediate hydration level. This study suggests that the H-bonding network within nanoconfined water, which can be tampered by the degree of hydration, is the key factor responsible for the phase behavior of supercooled water. This study on the phase behavior and associated transitions of nanoconfined water has implications for nanofluidics and drug-delivery systems, in addition to understanding the fundamentals of water in confinement. PMID:27105178

  5. Compressive Strength and Hydration Process of Self Compacting Concrete (SCC) mixed with Sea Water, Marine Sand and Portland Composite Cement

    OpenAIRE

    Tjaronge, Wihardi; Irmawaty, Rita

    2014-01-01

    In order to eliminate the main problems of shortage of clean water and fine aggregate in the low land areas and the distant islands, this research utilized sea water and marine sand and Portland composite cement to produce high performance of Self Compacting Concrete (SCC). Portland composite cement containing of fly ash. The evaluation result on the mix design, workability (slumpflow, segregation), mechanical properties (compressive strength-static modulus) and hydration process of SCC were ...

  6. Hydration water and peptide dynamics - two sides of a coin. A neutron scattering and adiabatic calorimetry study at low hydration and cryogenic temperatures

    OpenAIRE

    Margarida Bastos; Nuno Alves; Silvia Maia; Paula Gomes; Akira Inaba; Yuji Miyazaki; Jean Marc Zanotti

    2013-01-01

    In the present work we bridge neutron scattering and calorimetry in the study of a low-hydration sample of a 15-residue hybrid peptide from cecropin and mellitin CA(1-7)M(2-9) of proven antimicrobial activity. Quasielastic and low-frequency inelastic neutron spectra were measured at defined hydration levels a nominally dry sample (specific residual hydration h = 0.060 g/g), a H2O-hydrated (h = 0.49) and a D2O-hydrated one (h = 0.51). Averaged mean square proton mobilities were derived over a ...

  7. Gas hydrates

    Digital Repository Service at National Institute of Oceanography (India)

    Ramprasad, T.

    borehole samples and by its characteristic responses in seismic- reflection profiles and oil-well electric logs. Beneath the ocean, gas hydrate exists where water depths exceed 500 meters (depending on sea bottom temperature), and it can occur within a... layer of sediment as much as hundreds of meters thick directly beneath the sea floor; the base of the layer is limited by geothermal gradient (increasing temperature). At high latitudes, it exists in association with permafrost. Need for study...

  8. Toward better understanding of chloral hydrate stability in water: Kinetics, pathways, and influencing factors.

    Science.gov (United States)

    Ma, Shengcun; Guo, Xiaoqi; Chen, Baiyang

    2016-08-01

    Chloral hydrate (CH) is a disinfection byproduct commonly found in disinfected water, and once formed, CH may undergo several transformation processes in water distribution system. In order to understand its fate and occurrence in water, this study examined several factors that may affect the stability of CH in water, including pH, temperature, initial CH concentration, typical anions, and the presence of free chlorine and monochloramine. The results indicated that CH was a relatively stable compound (half-life ∼7 d for 20 μg/L) in ambient pH (7) and temperature (20 °C) conditions. However, the hydrolysis rate can be greatly facilitated by increasing pH (from 7 to 12) and temperature (from 20 to 60 °C) or decreasing initial CH concentration (from 10 mg/L to 20 μg/L). To quantify the influences of these factors on the CH hydrolysis rate constant (k, 1/h), which spans five orders of magnitude, this study developed a multivariate model that predicts literature and this study's data well (R(2) = 0.90). In contrast, the presence of chloride, nitrate, monochloramine, and free chlorine exhibited no significant impacts on the degradation of CH, while the CH loss in non-buffered waters spiked with sodium hypochlorite was driven by alkaline hydrolysis. In terms of reaction products, CH hydrolysis yielded mostly chloroform and formic acid and a few chloride, which confirmed decarburization as a dominant pathway and dehalogenation as a noticeable coexisting reaction. PMID:27206269

  9. Interaction of Simple Ions with Water: Theoretical Models for the Study of Ion Hydration

    Science.gov (United States)

    Gancheff, Jorge S.; Kremer, Carlos; Ventura, Oscar N.

    2009-01-01

    A computational experiment aimed to create and systematically analyze models of simple cation hydrates is presented. The changes in the structure (bond distances and angles) and the electronic density distribution of the solvent and the thermodynamic parameters of the hydration process are calculated and compared with the experimental data. The…

  10. Hydration water dynamics in biopolymers from NMR relaxation in the rotating frame

    Science.gov (United States)

    Blicharska, Barbara; Peemoeller, Hartwig; Witek, Magdalena

    2010-12-01

    Assuming dipole-dipole interaction as the dominant relaxation mechanism of protons of water molecules adsorbed onto macromolecule (biopolymer) surfaces we have been able to model the dependences of relaxation rates on temperature and frequency. For adsorbed water molecules the correlation times are of the order of 10 -5 s, for which the dispersion region of spin-lattice relaxation rates in the rotating frame R1ρ = 1/ T1ρ appears over a range of easily accessible B1 values. Measurements of T1ρ at constant temperature and different B1 values then give the "dispersion profiles" for biopolymers. Fitting a theoretical relaxation model to these profiles allows for the estimation of correlation times. This way of obtaining the correlation time is easier and faster than approaches involving measurements of the temperature dependence of R1 = 1/ T1. The T1ρ dispersion approach, as a tool for molecular dynamics study, has been demonstrated for several hydrated biopolymer systems including crystalline cellulose, starch of different origins (potato, corn, oat, wheat), paper (modern, old) and lyophilized proteins (albumin, lysozyme).

  11. Engineering properties of water/wastewater-treatment sludge modified by hydrated lime, fly ash and loess.

    Science.gov (United States)

    Lim, Sungjin; Jeon, Wangi; Lee, Jaebok; Lee, Kwanho; Kim, Namho

    2002-10-01

    The purpose of this research was to present engineering properties of modified sludge from water/wastewater treatment by modifiers such as hydrated lime, loess, and fly ash. The proper mixing ratio was determined to hold the pH of the modified sludge above 12.0 for 2 h. Laboratory tests carried out in this research included particle analysis, compaction and CBR, SEM and X-ray diffraction, unconfined compression test, permeability test, and TCLP test. The main role of lime was to sterilize microorganisms in the sludge. The unconfined strength of the modified sludge by fly ash and loess satisfied the criteria for construction materials, which was above 100 kPa. The permeability of all the mixtures was around 1.0 x 10(-7) cm/s. Extraction tests for hazardous components in modified sludge revealed below the regulated criteria, especially for cadmium, copper, and lead. The present study suggested that the use of lime, fly ash, and loess be an another alternative to modify or stabilize water/wastewater treatment sludge as construction materials in civil engineering. PMID:12420922

  12. Hydration shell effects in the relaxation dynamics of photoexcited Fe-II complexes in water

    CERN Document Server

    Nalbach, P; Frey, M; Grosser, M; Gawelda, W; Galler, A; Assefa, T; Bressler, C; Thorwart, M

    2014-01-01

    We study the relaxation dynamics of photoexcited Fe-II complexes dissolved in water and identify the relaxation pathway which the molecular complex follows in presence of a hydration shell of bound water at the interface between the complex and the solvent. Starting from a low-spin state, the photoexcited complex can reach the high-spin state via a cascade of different possible transitions involving electronic as well as vibrational relaxation processes. By numerically exact path integral calculations for the relaxational dynamics of a continuous solvent model, we find that the vibrational life times of the intermittent states are of the order of a few ps. Since the electronic rearrangement in the complex occurs on the time scale of about 100 fs, we find that the complex first rearranges itself in a high-spin and highly excited vibrational state, before it relaxes its energy to the solvent via vibrational relaxation transitions. By this, the relaxation pathway can be clearly identified. We find that the life ...

  13. Gas hydrate and humans

    Science.gov (United States)

    Kvenvolden, K.A.

    2000-01-01

    The potential effects of naturally occurring gas hydrate on humans are not understood with certainty, but enough information has been acquired over the past 30 years to make preliminary assessments possible. Three major issues are gas hydrate as (1) a potential energy resource, (2) a factor in global climate change, and (3) a submarine geohazard. The methane content is estimated to be between 1015 to 1017 m3 at STP and the worldwide distribution in outer continental margins of oceans and in polar regions are significant features of gas hydrate. However, its immediate development as an energy resource is not likely because there are various geological constraints and difficult technological problems that must be solved before economic recovery of methane from hydrate can be achieved. The role of gas hydrate in global climate change is uncertain. For hydrate methane to be an effective greenhouse gas, it must reach the atmosphere. Yet there are many obstacles to the transfer of methane from hydrate to the atmosphere. Rates of gas hydrate dissociation and the integrated rates of release and destruction of the methane in the geo/hydro/atmosphere are not adequately understood. Gas hydrate as a submarine geohazard, however, is of immediate and increasing importance to humans as our industrial society moves to exploit seabed resources at ever-greater depths in the waters of our coastal oceans. Human activities and installations in regions of gas-hydrate occurrence must take into account the presence of gas hydrate and deal with the consequences of its presence.

  14. Beaufort Sea deep-water gas hydrate recovery from a seafloor mound in a region of widespread BSR occurrence

    Science.gov (United States)

    Hart, Patrick E.; Pohlman, John W.; Lorenson, T.D.; Edwards, Brian D.

    2011-01-01

    Gas hydrate was recovered from the Alaskan Beaufort Sea slope north of Camden Bay in August 2010 during a U.S. Coast Guard Cutter Healy expedition (USCG cruise ID HLY1002) under the direction of the U.S. Geological Survey (USGS). Interpretation of multichannel seismic (MCS) reflection data collected in 1977 by the USGS across the Beaufort Sea continental margin identified a regional bottom simulating reflection (BSR), indicating that a large segment of the Beaufort Sea slope is underlain by gas hydrate. During HLY1002, gas hydrate was sampled by serendipity with a piston core targeting a steep-sided bathymetric high originally thought to be an outcrop of older, exposed strata. The feature cored is an approximately 1100m diameter, 130 m high conical mound, referred to here as the Canning Seafloor Mound (CSM), which overlies the crest of a buried anticline in a region of sub-parallel compressional folds beneath the eastern Beaufort outer slope. An MCS profile shows a prominent BSR upslope and downslope from the mound. The absence of a BSR beneath the CSM and occurrence of gas hydrate near the summit indicates that free gas has migrated via deep-rooted thrust faults or by structural focusing up the flanks of the anticline to the seafloor. Gas hydrate recovered from near the CSM summit at a subbottom depth of about 5.7 meters in a water depth of 2538 m was of nodular and vein-filling morphology. Although the hydrate was not preserved, residual gas from the core liner contained >95% methane by volume when corrected for atmospheric contamination. The presence of trace C4+hydrocarbons (hydrate lenses is also a likely factor in CSM growth. Pore water analysis shows the sulfate-methane transition to be very shallow (0-1 mbsf), also supporting an active high-flux interpretation. Pore water with chloride concentrations as low as 160 mM suggest fluid migration pathways may extend to the mound from buried non-marine sediments containing low-salinity fluids.

  15. A consistent and verifiable macroscopic model for the dissolution of liquid CO2 in water under hydrate forming conditions

    International Nuclear Information System (INIS)

    Direct injection of liquid CO2 into the ocean has been proposed as one method to reduce the emission levels of CO2 into the atmosphere. When liquid CO2 is injected (normally as droplets) at ocean depths >500 m, a solid interfacial region between the CO2 and the water is observed to form. This region consists of hydrate clathrates and hinders the rate of dissolution of CO2. It is, therefore, expected to have a significant impact on the injection of liquid CO2 into the ocean. Up until now, no consistent and predictive model for the shrinking of droplets of CO2 under hydrate forming conditions has been proposed. This is because all models proposed to date have had too many unknowns. By computing rates of the physical and chemical processes in hydrates via molecular dynamics simulations, we have been able to determine independently some of these unknowns. We then propose the most reasonable model and use it to make independent predictions of the rates of mass transfer and thickness of the hydrate region. These predictions are compared to measurements, and implications to the rates of shrinkage of CO2 droplets under varying flow conditions are discussed. (author)

  16. Flow strength of highly hydrated Mg- and Na-sulfate hydrate salts, pure and in mixtures with water ice, with application to Europa

    Science.gov (United States)

    Durham, W.B.; Stern, L.A.; Kubo, T.; Kirby, S.H.

    2005-01-01

    We selected two Europan-ice-shell candidate highly hydrated sulfate salts for a laboratory survey of ductile flow properties: MgSO4 ?? 7H2O (epsomite) and Na2SO4 ?? 10H2O (mirabilite), called MS7 and NS10, respectively. Polycrystalline samples in pure form and in mixtures with water ice I were tested using our cryogenic high-pressure creep apparatus at temperatures 232 ??? T ??? 294 K, confining pressures P = 50 and 100 MPa, and strain rates 4 ?? 10-8 ??? ???dot;e ??? 7 ?? 10-5 s-1. Grain size of NS10 samples was > 100 ??m. The flow strength ?? of pure MS7 was over 100 times that of polycrystalline ice I at comparable conditions; that of pure NS10 over 20 times that of ice. In terms of the creep law ???dot;e = A??n e-Q/RT, where R is the gas constant, we determine parameter values of A = 1012.1 MPa-ns-1, n = 5.4, and Q = 128 kJ/mol for pure NS10. Composites of ice I and NS10 of volume fraction ?? NS10 have flow strength ??c = [??NS10??NS10J + (1 - ?? NS10)??iceIJ]1/J where J ??? -0.5, making the effect on the flow of ice with low volume fractions of NS10 much like that of virtually undeformable hard rock inclusions. Being much stronger and denser than ice, massive sulfate inclusions in the warmer, ductile layer of the Europan ice shell are less likely to be entrained in convective ice flow and more likely to be drawn to the base of the ice shell by gravitational forces and eventually expelled. With only smaller, dispersed sulfate inclusions, at probable sulfate ?? high density and low thermal conductivity of the hydrated salts. Copyright 2005 by the American Geophysical Union.

  17. Time-series measurements of bubble plume variability and water column methane distribution above Southern Hydrate Ridge, Oregon

    Science.gov (United States)

    Philip, Brendan T.; Denny, Alden R.; Solomon, Evan A.; Kelley, Deborah S.

    2016-03-01

    An estimated 500-2500 gigatons of methane carbon is sequestered in gas hydrate at continental margins and some of these deposits are associated with overlying methane seeps. To constrain the impact that seeps have on methane concentrations in overlying ocean waters and to characterize the bubble plumes that transport methane vertically into the ocean, water samples and time-series acoustic images were collected above Southern Hydrate Ridge (SHR), a well-studied hydrate-bearing seep site ˜90 km west of Newport, Oregon. These data were coregistered with robotic vehicle observations to determine the origin of the seeps, the plume rise heights above the seafloor, and the temporal variability in bubble emissions. Results show that the locations of seep activity and bubble release remained unchanged over the 3 year time-series investigation, however, the magnitude of gas release was highly variable on hourly time scales. Bubble plumes were detected to depths of 320-620 m below sea level (mbsl), in several cases exceeding the upper limit of hydrate stability by ˜190 m. For the first time, sustained gas release was imaged at the Pinnacle site and in-between the Pinnacle and the Summit area of venting, indicating that the subseafloor transport of fluid and gas is not restricted to the Summit at SHR, requiring a revision of fluid-flow models. Dissolved methane concentrations above background levels from 100 to 300 mbsl are consistent with long-term seep gas transport into the upper water column, which may lead to the build-up of seep-derived carbon in regional subsurface waters and to increases in associated biological activity.

  18. ELIMINATION OF URINE IN RESPONSE TO WATER INTAKE IS CONSISTENT IN WELL-HYDRATED INDIVIDUALS

    OpenAIRE

    Catalina Capitán-Jiménez; Luis Fernando Aragón-Vargas

    2010-01-01

    A simple method has been recently proposed to assess acute hydration status in humans; however, several questions remain regarding its reliability, validity, and practicality. Objective: Establish reliability of a simple method to assess euhydration, that is, to analyze whether this method can be used as a consistent indicator of a person´s hydration status. In addition, the study sought to assess the effect exercise has on urine volume when euhydration is maintained and a standardized volume...

  19. Development and preliminary testing of a standardized method for quantifying excess water in over-hydrated skin using evaporimetry

    International Nuclear Information System (INIS)

    Although evaporimetry (the measurement of water vapour flux density from the skin) has often been used to study the impact on skin hydration of using products such as baby diapers and incontinence pads, it is difficult to interpret results and to compare data from different studies because of the diversity of unvalidated methodologies used. The aim of this work was to develop a robust methodology for measuring the excess water in over-hydrated skin and test it on volar forearm and hip skin which had been occluded with saline soaked patches. Three repeat measurements were made on the volar forearm and the hip of five young (31–44 years) and six older (67–85 years) women and moderately good within-subject repeatability was found for both skin sites for both subject groups. Measurements taken from the hip were significantly higher (P = 0.001) than those from the arm and had larger coefficients of variation (3.5–22.1%) compared to arms (3.0–14.0%). There were no significant differences between young and older skin, implying that women for future studies could be recruited without regard to age. This is the first time that a robust evaporimetric methodology for quantifying excess water in over-hydrated skin has been described and validated, and it will form a solid basis for future work

  20. Toward a microscopic understanding of the calcium–silicate–hydrates/water interface

    International Nuclear Information System (INIS)

    Calcium–Silicate–Hydrates (C–S–H) are the main binding phases in most concrete which is the primarily used composite construction material in the world. However, a big lack is cleaving between the actual knowledge about C–S–H, compared to what could be reached using state-of-the-art technologies of modern research. In this article, the formation of a C–S–H phase on a native oxide covered silicon wafer is investigated by means of in-situ attenuated total reflection infrared (ATR–IR) and ex-situ surface-enhanced Raman spectroscopy (SERS). The total thickness of the C–S–H phase is determined by X-ray photoelectron spectroscopy (XPS) to be 3 nm. The formation appears to be reversible depending on the environment pH value and can be performed at room temperature. Based on density functional theory (DFT) calculations, it is shown that the C–S–H phase in the presence of water will change its chemical composition in order to reach the thermodynamic ground state of the system. This change is achieved by a metal–proton exchange reaction. The stoichiometry of these metal–proton exchange reactions is nearly independent of the environment pH value. Electrokinetic measurements yield isoelectric points of 2.0 and 2.6 for the native oxide covered silicon wafer (SiO2) and the C–S–H phase. This is consistent with a predominance of Si–O sites at the C–S–H/water interface.

  1. Comparison of the water change characteristics between the formation and dissociation of methane hydrate and the freezing and thawing of ice in sand

    Institute of Scientific and Technical Information of China (English)

    Peng Zhang; Qingbai Wu; Yingmei Wang

    2009-01-01

    Hydrate formation and dissociation processes are always accompanied by water migration in porous media, which is similar to the ice. In our study, a novel pF-meter sensor which could detect the changes of water content inside sand was first applied to hydrate formation and dissociation processes. It also can study the water change characteristics in the core scale of a partially saturated silica sand sample and compare the differences of water changes between the processes of formation and dissociation of methane hydrate and freezing and thawing of ice. The experimental results showed that the water changes in the processes of formation and dissociation of methane hydrate were basically similar to that of the freezing and thawing of ice in sand. When methane hydrate or ice was formed, water changes showed the decrease in water content on the whole and the pF values rose following the formation processes. However, there were very obvious differences between the ice thawing and hydrate dissociation.

  2. On-line monitoring of methane hydrate crystallization process in water-in-oil emulsion using in situ ATR-FTIR spectroscopy

    OpenAIRE

    Ouabbas, Yamina; Cameirão, Ana; Herri, Jean-Michel; Glénat, Philippe

    2014-01-01

    The formation of gas hydrates in water-in-oil flowing emulsion was studied in a flow loop pilot at 80 bar and 1°C. The Archimede flow loop (30 m long, 1 cm diameter) has been built to reproduce the thermodynamic and hydrodynamic conditions encountered in pipelines. The crystallization of methane hydrate was investigated for two water contents (5%vol. and 30%vol.) in liquid Kerdane (C1-C14). The hydrate formation was determined from differential pressure drop and temperature measurements and g...

  3. Neutron scattering studies of dynamic crossover phenomena in a coupled system of biopolymer and its hydration water

    International Nuclear Information System (INIS)

    We have observed a Fragile-to-Strong Dynamic Crossover (FSC) phenomenon of the α-relaxation time and self-diffusion constant in hydration water of three biopolymers: lysozyme, B-DNA and RNA. The mean squared displacement (MSD) of hydrogen atoms is measured by Elastic Neutron Scattering (ENS) experiments. The α-relaxation time is measured by Quasi-Elastic Neutron Scattering (QENS) experiments and the self-diffusion constant by Nuclear Magnetic Resonance (NMR) experiments. We discuss the active role of the FSC of the hydration water in initiating the dynamic crossover phenomenon (so-called glass transition) in the biopolymer. The latter transition controls the flexibility of the biopolymer and sets the low temperature limit of its biofunctionality. Finally, we show an MD simulation of a realistic hydrated powder model of lysozyme and demonstrate the agreement of the MD simulation with the experimental data on the FSC phenomenon in the plot of logarithm of the α-relaxation time vs. 1/T.

  4. Molecular Dynamics Simulation of Atomic Force Microscopy at the Water-Muscovite Interface: Hydration Layer Structure and Force Analysis.

    Science.gov (United States)

    Kobayashi, Kazuya; Liang, Yunfeng; Amano, Ken-Ichi; Murata, Sumihiko; Matsuoka, Toshifumi; Takahashi, Satoru; Nishi, Naoya; Sakka, Tetsuo

    2016-04-19

    With the development of atomic force microscopy (AFM), it is now possible to detect the buried liquid-solid interfacial structure in three dimensions at the atomic scale. One of the model surfaces used for AFM is the muscovite surface because it is atomically flat after cleavage along the basal plane. Although it is considered that force profiles obtained by AFM reflect the interfacial structures (e.g., muscovite surface and water structure), the force profiles are not straightforward because of the lack of a quantitative relationship between the force and the interfacial structure. In the present study, molecular dynamics simulations were performed to investigate the relationship between the muscovite-water interfacial structure and the measured AFM force using a capped carbon nanotube (CNT) AFM tip. We provide divided force profiles, where the force contributions from each water layer at the interface are shown. They reveal that the first hydration layer is dominant in the total force from water even after destruction of the layer. Moreover, the lateral structure of the first hydration layer transcribes the muscovite surface structure. It resembles the experimentally resolved surface structure of muscovite in previous AFM studies. The local density profile of water between the tip and the surface provides further insight into the relationship between the water structure and the detected force structure. The detected force structure reflects the basic features of the atomic structure for the local hydration layers. However, details including the peak-peak distance in the force profile (force-distance curve) differ from those in the density profile (density-distance curve) because of disturbance by the tip. PMID:27018633

  5. δD values of hydrated volcanic glass : a potential record of ancient meteoric water and climate in New Zealand

    International Nuclear Information System (INIS)

    Tephra beds that are well drained and have been buried by thin paleosols become hydrated within 2-3000 yr on reaction with meteoric waters. Hence, the absorbed water within silicic volcanic glass shards provides a potential record of δD values of ancient meteoric water. Such isotopic records have previously received little investigation. We demonstrate that 1.5-2 m thick tephra beds in central North Island, New Zealand, display uniform δD values vertically through their profiles and laterally up to 250 m in outcrop. Reproducibility is not influenced by grain size or age of the tephra. We obtained an average δD value of -48 ± 3 permille for water within the 1.8 ka Taupo Tephra. This is similar to the composition of present-day surface waters. δD values of -73 ± 2 and -60 ± 2 permille for the 25 ka Kawakawa and 30 ka Mangaone Tephra beds are significantly lower than present waters, indicating that they have been hydrated under different surficial conditions. This is consistent with other proxy paleoclimatic indicators that suggest a cooler, drier, and windier climate at the time of their eruption. Tephra beds are a potential source of paleoclimatic data in terrestrial environments that otherwise may lack proxy records. (author). 17 refs., 5 figs., 3 tabs

  6. Structure of neat and hydrated liquid nicotine and laser resonant desorption of clusters from nicotine-water solutions

    Science.gov (United States)

    Mihesan, Claudia; Ziskind, Michael; Focsa, Cristian; Seydou, Mahamadou; Lecomte, Frédéric; Schermann, Jean Pierre

    2008-11-01

    The microscopic structures of neat liquid nicotine and nicotine-water mixtures are examined through infrared spectroscopy and laser resonant desorption mass-spectroscopy. The infrared spectra of the solutions are analyzed using DFT calculations of homogenous and mixed hydrogen-bonded clusters. Neat nicotine and hydrated nicotine cluster are experimentally observed through IR laser resonant desorption of a nicotine/water ice mixture followed by laser ionization mass-spectrometry. A sizable fraction of those cluster ions is the result of laser ionization of small neutral clusters already present in the sample.

  7. Hydration states of clays followed by water and hydroxyls vibrational analyses in the near infrared: application to saponite and bentonite systems

    International Nuclear Information System (INIS)

    The study of the feasibility of a deep geological disposal facility conducted by ANDRA - the French national radioactive waste management agency -, requires the knowledge of water status and water content in clays. Thanks to an original lab-built device coupling vibrational spectroscopies and water adsorption isotherms, adsorbed water and clay's structure are described quantitatively and qualitatively. A multidisciplinary approach allows the description of hydration mechanisms and water molecules network in the inter lamellar space of synthetic saponites. The effects of density and nature of inter-foliar cations and the influence of temperature on hydration are presented. Using mechanisms and important parameters established on saponites, hydration of bentonite MX80 is carried out. In order to describe and quantify simultaneously two different water states, a simple but relevant method of spectra analysis was developed. (author)

  8. Strength Development and Hydration Behavior of Self-Activation of Commercial Ground Granulated Blast-Furnace Slag Mixed with Purified Water

    Directory of Open Access Journals (Sweden)

    Hyeoneun Park

    2016-03-01

    Full Text Available In this study, ground granulated blast-furnace slag (GGBFS samples from Singapore, Korea, and the United Arab Emirates were hydrated with purified water to estimate the cementing capabilities without activators. Raw GGBFS samples and hardened pastes were characterized to provide rational explanations for the strengths and hydration products. The slag characteristics that influenced the best strength of raw GGBFS were identified. Although it is widely recognized that GGBFS alone generally shows little cementing capability when hydrated with water, the GGBFSs examined in this study demonstrated various strength developments and hydration behaviors; one of the GGBFS samples even produced a high strength comparable to that of alkali- or Ca(OH2-activated GGBFS. In particular, as the GGBFS exhibited a greater number of favorable slag characteristics for hydraulic reactivity, it produced more C-S-H and ettringite. The results demonstrated a reasonable potential for commercial GGBFS with calcium sulfates to function as an independent cementitious binder without activators.

  9. Exploring the role of water in molecular recognition: predicting protein ligandability using a combinatorial search of surface hydration sites

    Science.gov (United States)

    Vukovic, Sinisa; Brennan, Paul E.; Huggins, David J.

    2016-09-01

    The interaction between any two biological molecules must compete with their interaction with water molecules. This makes water the most important molecule in medicine, as it controls the interactions of every therapeutic with its target. A small molecule binding to a protein is able to recognize a unique binding site on a protein by displacing bound water molecules from specific hydration sites. Quantifying the interactions of these water molecules allows us to estimate the potential of the protein to bind a small molecule. This is referred to as ligandability. In the study, we describe a method to predict ligandability by performing a search of all possible combinations of hydration sites on protein surfaces. We predict ligandability as the summed binding free energy for each of the constituent hydration sites, computed using inhomogeneous fluid solvation theory. We compared the predicted ligandability with the maximum observed binding affinity for 20 proteins in the human bromodomain family. Based on this comparison, it was determined that effective inhibitors have been developed for the majority of bromodomains, in the range from 10 to 100 nM. However, we predict that more potent inhibitors can be developed for the bromodomains BPTF and BRD7 with relative ease, but that further efforts to develop inhibitors for ATAD2 will be extremely challenging. We have also made predictions for the 14 bromodomains with no reported small molecule K d values by isothermal titration calorimetry. The calculations predict that PBRM1(1) will be a challenging target, while others such as TAF1L(2), PBRM1(4) and TAF1(2), should be highly ligandable. As an outcome of this work, we assembled a database of experimental maximal K d that can serve as a community resource assisting medicinal chemistry efforts focused on BRDs. Effective prediction of ligandability would be a very useful tool in the drug discovery process.

  10. Exploring the role of water in molecular recognition: predicting protein ligandability using a combinatorial search of surface hydration sites.

    Science.gov (United States)

    Vukovic, Sinisa; Brennan, Paul E; Huggins, David J

    2016-09-01

    The interaction between any two biological molecules must compete with their interaction with water molecules. This makes water the most important molecule in medicine, as it controls the interactions of every therapeutic with its target. A small molecule binding to a protein is able to recognize a unique binding site on a protein by displacing bound water molecules from specific hydration sites. Quantifying the interactions of these water molecules allows us to estimate the potential of the protein to bind a small molecule. This is referred to as ligandability. In the study, we describe a method to predict ligandability by performing a search of all possible combinations of hydration sites on protein surfaces. We predict ligandability as the summed binding free energy for each of the constituent hydration sites, computed using inhomogeneous fluid solvation theory. We compared the predicted ligandability with the maximum observed binding affinity for 20 proteins in the human bromodomain family. Based on this comparison, it was determined that effective inhibitors have been developed for the majority of bromodomains, in the range from 10 to 100 nM. However, we predict that more potent inhibitors can be developed for the bromodomains BPTF and BRD7 with relative ease, but that further efforts to develop inhibitors for ATAD2 will be extremely challenging. We have also made predictions for the 14 bromodomains with no reported small molecule K d values by isothermal titration calorimetry. The calculations predict that PBRM1(1) will be a challenging target, while others such as TAF1L(2), PBRM1(4) and TAF1(2), should be highly ligandable. As an outcome of this work, we assembled a database of experimental maximal K d that can serve as a community resource assisting medicinal chemistry efforts focused on BRDs. Effective prediction of ligandability would be a very useful tool in the drug discovery process. PMID:27367338

  11. Methane consumption in waters overlying a hydrate-associated mound in the Santa Monica Basin : a project synopsis

    Energy Technology Data Exchange (ETDEWEB)

    Heintz, M.B.; Mau, S.; Valentine, D.L.; Reed, J.H. [California Univ., Santa Barbara, CA (United States); Hallam, S.J.; Yang, J. [British Columbia Univ., Vancouver, BC (Canada). Dept. of Microbiology and Immunology

    2008-07-01

    Understanding the role of methane hydrates in the global carbon cycle and climate change requires an understanding of methane consumption in hydrate-associated environments. A dual-component microbial biofilter consumes up to 80 per cent of methane produced in the marine environment. Throughout most of the oceans around the world, anaerobic methane oxidation within sediment prevents large quantities of methane from leaving the seafloor. However, in regions of increased methane production, methane is released to the water column. The water column component of the marine biofilter for methane is the largest uncharacterized global sink for methane. This study combined geochemical and molecular biology to develop a quantitative understanding of methane consumption in the marine water column of the Southern California Bight. The paper presented geochemical data demonstrating that the degree of basin enclosure and basin-scale circulation patterns, were first order controls on methane oxidation rates in the Santa Monica Basin (SMB). The paper also presented genetic data showing similarities and differences in methanotrophic communities in distinctive horizons within the SMB water column. It described the study site, sampling, and methods as well as the preliminary findings. A contrast was observed between methane concentration and methane turnover time profiles. It was concluded that although methane concentration is a first-order control on methanotrophic activity, community concentration, dilution and seeding control the broad scale efficacy of methane consumption. 23 refs., 2 figs.

  12. Chloral Hydrate

    Science.gov (United States)

    Chloral hydrate, a sedative, is used in the short-term treatment of insomnia (to help you fall asleep and ... Chloral hydrate comes as a capsule and liquid to take by mouth and as a suppository to insert rectally. ...

  13. Hydration modes of an amphiphilic molecule 2: NMR, FTIR and theoretical study of the interactions in the system water-1,2-dimethoxyethane

    International Nuclear Information System (INIS)

    Graphical abstract: Using NMR spectroscopy, PFG measurements, relaxations and NOESY, as well as FTIR spectroscopy and DFT calculations, 1,2-dimethoxyethane is shown to form a hydrate with five water molecules bound by cooperative hydrogen bonds. Highlights: → Binding of water to DME leads to tgt conformation at all water/DME ratios. → Water is bound to DME in a tight envelope containing at least five water molecules. → The hydration envelope is built up by cooperative O-H...O and O...H-C hydrogen bonds. - Abstract: Using 1H and 13C NMR spectra, PFG NMR self-diffusion measurements, 1H and 13C NMR relaxations and 1H NOESY NMR spectra, FTIR spectra and quantum-chemical DFT and MP2 calculations, the interaction of 1,2-dimethoxyethane (DME) with water (W) was re-examined. It was confirmed that, primarily, one W molecule forms two O...H hydrogen bonds with DME in tgt conformation. At medium and higher W contents, however, larger hydrates of DME are formed, predominantly with five W molecules. The compact structure of the hydrate is warranted by O...H hydrogen bonds, some of them perceptibly tighter than those in the primary hydrate, and by non-classical CH3...O hydrogen bonds.

  14. Formation of porous gas hydrates

    CERN Document Server

    Salamatin, Andrey N

    2015-01-01

    Gas hydrates grown at gas-ice interfaces are examined by electron microscopy and found to have a submicron porous texture. Permeability of the intervening hydrate layers provides the connection between the two counterparts (gas and water molecules) of the clathration reaction and makes further hydrate formation possible. The study is focused on phenomenological description of principal stages and rate-limiting processes that control the kinetics of the porous gas hydrate crystal growth from ice powders. Although the detailed physical mechanisms involved in the porous hydrate formation still are not fully understood, the initial stage of hydrate film spreading over the ice surface should be distinguished from the subsequent stage which is presumably limited by the clathration reaction at the ice-hydrate interface and develops after the ice grain coating is finished. The model reveals a time dependence of the reaction degree essentially different from that when the rate-limiting step of the hydrate formation at...

  15. C-Phycocyanin protects against acute tributyltin chloride neurotoxicity by modulating glial cell activity along with its anti-oxidant and anti-inflammatory property: A comparative efficacy evaluation with N-acetyl cysteine in adult rat brain.

    Science.gov (United States)

    Mitra, Sumonto; Siddiqui, Waseem A; Khandelwal, Shashi

    2015-08-01

    Spirulina is a widely used health supplement and is a dietary source of C-Phycocyanin (CPC), a potent anti-oxidant. We have previously reported the neurotoxic potential of tributyltin chloride (TBTC), an environmental pollutant and potent biocide. In this study, we have evaluated the protective efficacy of CPC against TBTC induced neurotoxicity. To evaluate the extent of neuroprotection offered by CPC, its efficacy was compared with the degree of protection offered by N-acetylcysteine (NAC) (a well known neuroprotective drug, taken as a positive control). Male Wistar rats (28 day old) were administered with 20mg/kg TBTC (oral) and 50mg/kg CPC or 50mg/kg NAC (i.p.), alone or in combination, and various parameters were evaluated. These include blood-brain barrier (BBB) damage; redox parameters (ROS, GSH, redox pathway associated enzymes, oxidative stress markers); inflammatory, cellular, and stress markers; apoptotic proteins and in situ cell death assay (TUNEL). We observed increased CPC availability in cortical tissue following its administration. Although BBB associated proteins like claudin-5, p-glycoprotein and ZO-1 were restored, CPC/NAC failed to protect against TBTC induced overall BBB permeability (Evans blue extravasation). Both CPC and NAC remarkably reduced oxidative stress and inflammation. NAC effectively modulated redox pathway associated enzymes whereas CPC countered ROS levels efficiently. Interestingly, CPC and NAC were equivalently capable of reducing apoptotic markers, astroglial activation and cell death. This study illustrates the various pathways involved in CPC mediated neuroprotection against this environmental neurotoxicant and highlights its capability to modulate glial cell activity. PMID:26079211

  16. Why can water cages adsorb aqueous methane? A potential of mean force calculation on hydrate nucleation mechanisms.

    Science.gov (United States)

    Guo, Guang-Jun; Li, Meng; Zhang, Yi-Gang; Wu, Chang-Hua

    2009-11-28

    By performing constrained molecular dynamics simulations in the methane-water system, we successfully calculated the potential of mean force (PMF) between a dodecahedral water cage (DWC) and dissolved methane for the first time. As a function of the distance between DWC and methane, this is characterized by a deep well at approximately 6.2 A and a shallow well at approximately 10.2 A, separated by a potential barrier at approximately 8.8 A. We investigated how the guest molecule, cage rigidity and the cage orientation affected the PMF. The most important finding is that the DWC itself strongly adsorbs methane and the adsorption interaction is independent of the guests. Moreover, the activation energy of the DWC adsorbing methane is comparable to that of hydrogen bonds, despite differing by a factor of approximately 10% when considering different water-methane interaction potentials. We explain that the cage-methane adsorption interaction is a special case of the hydrophobic interaction between methane molecules. The strong net attraction in the DWC shell with radii between 6.2 and 8.8 A may act as the inherent driving force that controls hydrate formation. A cage adsorption hypothesis for hydrate nucleation is thus proposed and discussed. PMID:19890529

  17. Hydration of Volcanic Glass with Super-Critical Water and its Effect on Permeability of Volcanic Rocks

    Science.gov (United States)

    Isobe, H.

    2006-12-01

    Behavior of high-temperature, high-pressure fluid flow in volcanoes depends on permeability of rocks in fluid paths. High pressure fluids or vapors in volcanoes, which are in super-critical states, are essential factors of volcanic eruptions. Especially, phreatomagmatic eruptions are caused by excess pressures of the fluid degassed from magma body or heated water contacted with magma or high temperature rocks in volcanoes. Alteration processes of rocks and minerals with super-critical fluid can change permeability of rocks by spreading of the fluid path or obstruction with precipitated minerals. In this study, experimental reproduction on the hydration and alteration processes of rocks and minerals with super-critical fluid flow were carried out with a fluid flow apparatus. Starting materials of the experiments are powdered rhyolitic obsidian and dacite. Approximately 55g of the starting material are placed in a SUS316 sample tube. Inner diameter and length of the sample tube are 9.4mm and 572mm, respectively. Temperature gradient of the pressure vessel is controlled by triple electric furnaces. Run products are retrieved by cutting off the sample tube and observed by SEM. Permeability of run products are also measured by gas flow method. Experimental pressure is 50MPa. Flow rate of distilled water at room temperature is 0.1ml / minute pumped by a low speed high-pressure pump. Temperature of the sample is approximately 450°C for rhyolitic glass powder or 420°C for dacite powder at the first half of the sample tube, then decreased to approximately 310°C at the outlet of the sample tube. Run durations are 3 to 8 days. Obsidian grains and groundmass glass of dacite partially dissolved and changed to porous at higher than approximately 400°C. Alteration products of the volcanic glass including clay minerals, cristobalite and plagioclase occur in grain boundaries and cemented grains within a few centimeters from the outlet of the sample tube. Volcanic glass

  18. Quantitative analysis of the hydration of lithium salts in water using multivariate curve resolution of near-infrared spectra.

    Science.gov (United States)

    Barba, M Isabel; Larrechi, M Soledad; Coronas, Alberto

    2016-05-01

    The hydration process of lithium iodide, lithium bromide, lithium chloride and lithium nitrate in water was analyzed quantitatively by applying multivariate curve resolution alternating least squares (MCR-ALS) to their near infrared spectra recorded between 850 nm and 1100 nm. The experiments were carried out using solutions with a salt mass fraction between 0% and 72% for lithium bromide, between 0% and 67% for lithium nitrate and between 0% and 62% for lithium chloride and lithium iodide at 323.15 K, 333.15 K, 343.15 K and 353.15 K, respectively. Three factors were determined for lithium bromide and lithium iodide and two factors for the lithium chloride and lithium nitrate by singular value decomposition (SVD) of their spectral data matrices. These factors are associated with various chemical environments in which there are aqueous clusters containing the ions of the salts and non-coordinated water molecules. Spectra and concentration profiles of non-coordinated water and cluster aqueous were retrieved by MCR-ALS. The amount of water involved in the process of hydration of the various salts was quantified. The results show that the water absorption capacity increases in the following order LiI salt concentration at which there is no free water in the medium was calculated at each one of the temperatures considered. The values ranged between 62.6 and 65.1% for LiBr, 45.5-48.3% for LiCl, 60.4-61.2% for LiI and 60.3-63.7% for LiNO3. These values are an initial approach to determining the concentration as from which crystal formation is favored. PMID:27086095

  19. Investigation on Gas Storage in Methane Hydrate

    Institute of Scientific and Technical Information of China (English)

    Zhigao Sun; Rongsheng Ma; Shuanshi Fan; Kaihua Guo; Ruzhu Wang

    2004-01-01

    The effect of additives (anionic surfactant sodium dodecyl sulfate (SDS), nonionic surfactant alkyl polysaccharide glycoside (APG), and liquid hydrocarbon cyclopentane (CP)) on hydrate induction time and formation rate, and storage capacity was studied in this work. Micelle surfactant solutions were found to reduce hydrate induction time, increase methane hydrate formation rate and improve methane storage capacity in hydrates. In the presence of surfactant, hydrate could form quickly in a quiescent system and the energy costs of hydrate formation were reduced. The critical micelle concentrations of SDS and APG water solutions were found to be 300× 10-6 and 500× 10-6 for methane hydrate formation system respectively. The effect of anionic surfactant (SDS) on methane storage in hydrates is more pronounced compared to a nonionic surfactant (APG). CP also reduced hydrate induction time and improved hydrate formation rate, but could not improve methane storage in hydrates.

  20. Influence of supplementary cementitious materials on water transport kinetics and mechanical properties of hydrated lime and cement mortars

    Directory of Open Access Journals (Sweden)

    Ince, C.

    2015-06-01

    Full Text Available The purpose of this paper is an investigation of the possible role of supplementary cementitious materials (SCMs on water transport kinetics and mechanical properties of hydrated lime (CL90 and Portland cement (PC mortars. The properties of hydrated lime are significantly different from those of cement and therefore modifying fresh and hardened properties of these mortars are vital for mortar/substrate optimisation in masonry construction. The parameters investigated in this paper often are the main barriers to the use of hydrated lime in construction practice. The results show that transfer sorptivity and time to dewater freshly-mixed hydrated lime mortars can be modified when binder is partially replaced with SCMs. Compressive strength of CL90 mortars is increased systematically with the increased replacement levels of SCMs and the results are supported with the microstructural images. The ability to modify the water transport kinetics and mechanical properties allows compatibility between the mortar and the substrate unit in masonry construction.El objetivo de este artículo es investigar el papel de los materiales cementantes suplementarios (SCMs en la cinética de transporte del agua y en las propiedades mecánicas de los morteros de cal hidratada (CL90 y cemento Portland. Las propiedades de la cal hidratada son significativamente diferentes a las del cemento y por lo tanto el control de las propiedades de los morteros frescos y endurecidos es fundamental en la optimización mortero/substrato en albañilería. Los parámetros estudiados en este trabajo son a menudo las principales barreras para el uso de la cal hidratada en la práctica de la construcción. Los resultados indican que la absortividad y el tiempo necesario para deshidratar morteros de cal hidratada recién mezclados pueden ser controlados cuando el conglomerante es parcialmente remplazado por SCMs. La resistencia a compresión de los morteros CL90 aumenta sistem

  1. Towards a Molecular Theory of Hydrophobic Hydration: Hard Spheres in Primitive Water

    Czech Academy of Sciences Publication Activity Database

    Jirsák, Jan; Nezbeda, Ivo

    Wien : European Physical Society, 2011 - (Colozza, I.; Blaak, R.; Capone, B.; Jungblut, S.), 34 /P2.34/ ISBN 2-914771-71-1. [Liquid Matter Conference /8./. Wien (AT), 06.09.2011-09.09.2011] R&D Projects: GA AV ČR IAA400720710; GA AV ČR IAA400720802; GA AV ČR IAA200760905 Institutional research plan: CEZ:AV0Z40720504 Keywords : hydrophobic hydration * pseudo-hard bodies * equation of state Subject RIV: CF - Physical ; Theoretical Chemistry

  2. Educational intervention on water intake improves hydration status and enhances exercise performance in athletic youth

    OpenAIRE

    Kavouras, S. A.; Arnaoutis, G; Makrillos, M; Garagouni, C; Nikolaou, E; Chira, O; Ellinikaki, E; Sidossis, L S

    2012-01-01

    We aimed to evaluate whether an intervention program emphasizing in increased fluid intake can improve exercise performance in children exercising in the heat. Ninety-two young athletes participated in the study (age: 13.8 ± 0.4 years, weight: 54.9 ± 1.5 kg). Thirty-one (boys: 13, girls: 18) children served as the control group (CON) and 61 (boys: 30, girls: 31) as the intervention (INT). Volunteers had free access to fluids. Hydration was assessed on the basis of first morning urine. A serie...

  3. Rapid gas hydrate formation process

    Science.gov (United States)

    Brown, Thomas D.; Taylor, Charles E.; Unione, Alfred J.

    2013-01-15

    The disclosure provides a method and apparatus for forming gas hydrates from a two-phase mixture of water and a hydrate forming gas. The two-phase mixture is created in a mixing zone which may be wholly included within the body of a spray nozzle. The two-phase mixture is subsequently sprayed into a reaction zone, where the reaction zone is under pressure and temperature conditions suitable for formation of the gas hydrate. The reaction zone pressure is less than the mixing zone pressure so that expansion of the hydrate-forming gas in the mixture provides a degree of cooling by the Joule-Thompson effect and provides more intimate mixing between the water and the hydrate-forming gas. The result of the process is the formation of gas hydrates continuously and with a greatly reduced induction time. An apparatus for conduct of the method is further provided.

  4. Determination of methane concentrations in water in equilibrium with sI methane hydrate in the absence of a vapor phase by in situ Raman spectroscopy

    Science.gov (United States)

    Lu, W.; Chou, I.-Ming; Burruss, R.C.

    2008-01-01

    Most submarine gas hydrates are located within the two-phase equilibrium region of hydrate and interstitial water with pressures (P) ranging from 8 to 60 MPa and temperatures (T) from 275 to 293 K. However, current measurements of solubilities of methane in equilibrium with hydrate in the absence of a vapor phase are limited below 20 MPa and 283.15 K, and the differences among these data are up to 30%. When these data were extrapolated to other P-T conditions, it leads to large and poorly known uncertainties. In this study, in situ Raman spectroscopy was used to measure methane concentrations in pure water in equilibrium with sI (structure one) methane hydrate, in the absence of a vapor phase, at temperatures from 276.6 to 294.6 (??0.3) K and pressures at 10, 20, 30 and 40 (??0.4%) MPa. The relationship among concentration of methane in water in equilibrium with hydrate, in mole fraction [X(CH4)], the temperature in K, and pressure in MPa was derived as: X(CH4) = exp [11.0464 + 0.023267 P - (4886.0 + 8.0158 P)/T]. Both the standard enthalpy and entropy of hydrate dissolution at the studied T-P conditions increase slightly with increasing pressure, ranging from 41.29 to 43.29 kJ/mol and from 0.1272 to 0.1330 kJ/K ?? mol, respectively. When compared with traditional sampling and analytical methods, the advantages of our method include: (1) the use of in situ Raman signals for methane concentration measurements eliminates possible uncertainty caused by sampling and ex situ analysis, (2) it is simple and efficient, and (3) high-pressure data can be obtained safely. ?? 2007 Elsevier Ltd. All rights reserved.

  5. Gas hydrate cool storage system

    Science.gov (United States)

    Ternes, M.P.; Kedl, R.J.

    1984-09-12

    The invention presented relates to the development of a process utilizing a gas hydrate as a cool storage medium for alleviating electric load demands during peak usage periods. Several objectives of the invention are mentioned concerning the formation of the gas hydrate as storage material in a thermal energy storage system within a heat pump cycle system. The gas hydrate was formed using a refrigerant in water and an example with R-12 refrigerant is included. (BCS)

  6. Effect of hydrating water on the physical characteristics and the diffusion release of cesium nitrate immobilized in cement

    International Nuclear Information System (INIS)

    The effect of the preparation procedure --- variable amounts of hydrating water on the leachability of a soluble contaminant (CsNO3) from cement samples immersed in water, as well as the physical characteristics of cement samples such as density, pore volume, and compressive strength --- were considered in this paper. Leach tests of cement specimens containing 2% in weight of cesium nitrate (CsNO3), prepared at different water-to-cement ratios, W/C = 0.35, 0.40, 0.45, and 0.55, were curred for 60 degrees C, 98% RH, for eleven days. The leaching standard procedure suggested by the International organization for Standardization (ISO) was used to follow the kinetics for the Cs+, NO3-, and Ca3+ releases from cement right cylinders, 20 mm in diameter and 20 mm high, leached in water at a solid surface-to-liquid volume (S/V) = 0.1/cm. The results of the cumulative fraction release (CFR) versus time (t) in days indicate that the leaching of soluble elements like NO3- and cesium follows a diffusion mechanism

  7. Naphthenic acids hydrates of gases: influence of the water/oil interface on the dispersing properties of an acidic crude oil; Acides naphteniques hydrates de gaz de l'interface eau/huile sur les proprietes dispersantes d'un brut acide

    Energy Technology Data Exchange (ETDEWEB)

    Arla, D.

    2006-01-15

    Nowadays, the development of offshore oil production under increasing water depths (high pressures and low temperatures) has led oil companies to focus on gas hydrates risks. Hydrates are crystals containing gas and water molecules which can plug offshore pipelines. It has been shown that some asphaltenic crude oils stabilize water-in-oil emulsions (W/O) during several months and exhibit very good anti-agglomerant properties avoiding hydrate plugs formation. In this work, we have studied the 'anti-hydrate' properties of a West African acidic crude oil called crude AH. This oil contains naphthenic acids, RCOOH hydrocarbons which are sensitive to both the pH and the salinity of the water phase.The emulsifying properties of the crude AH have firstly been explored. It has been shown that heavy resins and asphaltenes are the main compounds of the crude AH responsible for the long term stability of the W/O emulsions whereas the napthenates RCOO{sup -} lead to less stable W/O emulsions. Dealing with hydrates, the crude AH exhibits moderate anti-agglomerant properties due to the presence of heavy resins and asphaltenes. However, the naphthenates RCOO{sup -} drastically increase the formation of hydrate plugs. Moreover, it has been pointed out that hydrate particles agglomeration accelerates the kinetics of hydrate formation and enhances the water/oil separation. In order to explain these behaviours, a mechanism of agglomeration by 'sticking' between a hydrate particle and a water droplet has been proposed. Finally, we have developed a model which describes the physico-chemical equilibria of the naphthenic acids in the binary system water/crude AH, in order to transpose the results obtained in the laboratory to the real oil field conditions. (author)

  8. Luminescence of OD radical as an evidence for water decomposition under destruction of the deuterated terbium sulfate crystal hydrate

    International Nuclear Information System (INIS)

    The triboluminescence of Tb2(SO4)3·8H2O crystals in which water was replaced by heavy water has been studied for the first time. An increase in triboluminescence intensity of Tb2(SO4)3·nD2O (n≈8) crystals corresponds to the change in quantum yield of Tb3+ ions. The replacement of the crystallized H2O by D2O causes the appearance of characteristic lines of OD radicals instead of OH ones in the UV region of the spectrum. The decomposition of the crystallized water, in this regard, was confirmed. -- Highlights: • H2O has been replaced by D2O in terbium sulfate crystal hydrate. • OD radicals were detected upon triboluminiscence of Tb2(SO4)3·nD2O in argon. • An isotope effect is observed for Tb3+TL and photoluminescence in Tb2(SO4)3·nD2O

  9. EFFECT OF MAGNETIZATION OF WATER ON INDUCTION TIME AND GROWTH PERIOD OF NATURAL GAS HYDRATE

    Institute of Scientific and Technical Information of China (English)

    KUANG Li; FAN Shuanshi

    2003-01-01

    The effect of diluted solution's magnetization on induction time and growth period of natural gas hydrate (NGH) has been investigated in quiescent reaction system at pressure of 4. 5 MPa and temperature of 274 K with SDS as surfactant, by using volume fixed and pressure falling method. Experimental results show that magnetization will have effect on the induction time of NGH. After magnetization with magnetic field intensity of 0.33 T, the induction time of NGH has been reduced to 47 min (average) from 99 min (average) in which there is no magnetization. On the other hand, the induction time has been prolonged after magnetization of the diluted solution with magnetic field intensity of 0.05 T, 0. 11 T, 0.22 T, 0.44T. Especially with magnetic field intensity of 0.11 T, the induction time had even been prolonged to 431min (average). The effect of magnetization on the growth period of NGH has not been found at the experimental condition.

  10. Gas hydrates of Lake Baikal

    OpenAIRE

    Khlystov, O.; De Batist, M.; Shoji, H; Nishio, S.; L. Naudts; J. Poort

    2011-01-01

    This paper reviews some of the results of recent gas-hydrate studies in Lake Baikal, the only fresh-water lake in the world containing gas hydrates in its sedimentary infill. We give a historical overview of the different investigations and discoveries and highlight some recent breakthroughs in our understanding of the Baikal hydrate system. The importance of mapping mud volcanoes and gas seeps is stressed, as these are currently the only locations where gas hydrates at or very close to the f...

  11. Geochemical characteristics of sediment pore water from Site XS-01 in the Xisha trough of South China Sea and their significance for gas hydrate occurrence

    Institute of Scientific and Technical Information of China (English)

    YANG Tao; JIANG Shaoyong; GE Lu; YANG Jinghong; LING Hongfei; WU Nengyou; ZHANG Guangxue; LIU Jian; CHEN Daohua

    2007-01-01

    Gas hydrate is a recently-found new source of energy that mostly exists in marine sediments. In recent years, we have conducted gas hydrate exploration in the South China Sea. The Xisha trough, one of the promising target areas for gas hydrate, is located in the northern margin of the South China Sea, adjacent to several large oil and gas fields. The Xisha trough extends 420 km long with the water depth of 1 500 m in the west part and 3 400 m in the east part and deposits thick sediments with organic matter content of 0.41%-1.02%. Previous studies on topographical features, geological P-T conditions, structural geology, sedimentary geology and geophysical bottom simulating reflectors (BSR) in the Xisha trough suggest that this area is favorable for the formation and accumulation of gas hydrate. In this paper, we present geochemical analyses for the sediment and pore water from a piston core at Site XS-01 in the Xisha trough. Seven pore water samples were analyzed for their anion (Cl-, SO42-, Br-, I-) contents, cation (Na, K, Ca, Mg) contents and trace element (Li, B, Sr, Ba, Rb, Mn) contents. Eight sediment samples were analyzed for stable carbon and oxygen isotopic compositions. A number of geochemical anomalies such as anions (e.g. Cl-, SO42-), cations (e.g. Ca, Mg) and trace elements (e.g. Sr, Ba, B) were found in this study. For example, the concentrations of Cl- and SO42- in pore water show a decreasing trend with depth. The estimated sulfate/ methane interface (SMI) is only 18 m, which is quite similar to the SMI value of 23 m in the ODP164 Leg 997 at Blake Ridge. The Ca, Mg and Sr concentrations of pore water also decrease with depth, but concentrations of Ba, and Mg/Ca and Sr/Ca ratios increase with depth. These geochemical anomalies are quite similar to those found in gas hydrate loca- tions in the world such as the Blake Ridge and may be related to the formation and dissociation of gas hydrates. The salt exclusion effect during the gas hydrate formation

  12. Clinker mineral hydration at reduced relative humidities

    DEFF Research Database (Denmark)

    Jensen, Ole Mejlhede; Hansen, Per Freiesleben; Lachowski, Eric E.;

    1999-01-01

    Vapour phase hydration of purl cement clinker minerals at reduced relative humidities is described. This is relevant to modern high performance concrete that may self-desiccate during hydration and is also relevant to the quality of the cement during storage. Both the oretical considerations and...... experimental data are presented showing that C(3)A can hydrate at lower humidities than either C3S or C2S. It is suggested that the initiation of hydration during exposure to water vapour is nucleation controlled. When C(3)A hydrates at low humidity, the characteristic hydration product is C(3)AH(6...

  13. Surfactants at Single-Walled Carbon Nanotube-Water Interface: Physics of Surfactants, Counter-Ions, and Hydration Shell

    Science.gov (United States)

    Khare, Ketan S.; Phelan, Frederick R., Jr.

    Specialized applications of single-walled carbon nanotubes (SWCNTs) require an efficient and reliable method to sort these materials into monodisperse fractions with respect to their defining metrics (chirality, length, etc.) while retaining their physical and chemical integrity. A popular method to achieve this goal is to use surfactants that individually disperse SWCNTs in water and then to separate the resulting colloidal mixture into fractions that are enriched in monodisperse SWCNTs. Recently, experiments at NIST have shown that subtle point mutations of chemical groups in bile salt surfactants have a large impact on the hydrodynamic properties of SWCNT-surfactant complexes during ultracentrifugation. These results provide strong motivation for understanding the rich physics underlying the assembly of surfactants around SWCNTs, the structure and dynamics of counter ions around the resulting complex, and propagation of these effects into the first hydration shell. Here, all-atom molecular dynamics simulations are used to investigate the thermodynamics of SWCNT-bile salt surfactant complexes in water with an emphasis on the buoyant characteristics of the SWCNT-surfactant complexes. Simulation results will be presented along with a comparison with experimental data. Official contribution of the National Institute of Standards and Technology; not subject to copyright in the United States.

  14. Modelling membrane hydration and water balance of a pem fuel cell

    DEFF Research Database (Denmark)

    Liso, Vincenzo; Nielsen, Mads Pagh

    2015-01-01

    and water content driving force is considered. We validate the model against experimental data. The water balance calculated by this model shows better fit with experimental data-points compared to other models such as the one by Springer et al.. We conclude that this discrepancy is due a different...

  15. Modelling and Validation of Water Hydration of PEM Fuel Cell Membrane in Dynamic Operations

    DEFF Research Database (Denmark)

    Liso, Vincenzo; Nielsen, Mads Pagh

    2015-01-01

    and considers the water adsorption/desorption phenomena in the membrane. The effect of diffusivity, surface roughness and water content driving force is considered. The model is validated against experimental data. Many studies have considered the fuel cell membrane to be in equilibrium condition...

  16. Water exchange at a hydrated platinum electrode is rare and collective

    CERN Document Server

    Limmer, David T; Madden, Paul A; Chandler, David

    2015-01-01

    We use molecular dynamics simulations to study the exchange kinetics of water molecules at a model metal electrode surface -- exchange between water molecules in the bulk liquid and water molecules bound to the metal. This process is a rare event, with a mean residence time of a bound water of about 40 ns for the model we consider. With analysis borrowed from the techniques of rare-event sampling, we show how this exchange or desorption is controlled by (1) reorganization of the hydrogen bond network within the adlayer of bound water molecules, and by (2) interfacial density fluctuations of the bulk liquid adjacent to the adlayer. We define collective coordinates that describe the desorption mechanism. Spatial and temporal correlations associated with a single event extend over nanometers and tens of picoseconds.

  17. Experimental study on modification of permeability in a methane hydrate reservoir and gas production behavior by the simultaneous injection of nitrogen and hot water

    Energy Technology Data Exchange (ETDEWEB)

    Sakamoto, Yasuhide; Komai, Takeshi; Haneda, Hironori; Kawamura, Taro; Tenma, Norio; Yamaguchi, Tsutomu

    2005-07-01

    For the purpose of permeability modification in methane hydrate reservoir and enhancement of dissociation, we carried out an experimental study on the simultaneous injection process of nitrogen and hot water. Nitrogen has the effect as an inhibitor as well as methanol and salts. In this experiment, we changed injection conditions of nitrogen and hot water, kind of sand as experimental parameters. Due to the inhibitor effect of nitrogen, it was possible to continue water injection without permeability reduction. And dissociated gas production was completed earlier in comparison with normal hot water injection process. (Author)

  18. HYDRATING THE PLANET THROUGH BUSINESS INNOVATION: A STUDY OF ISRAEL'S WATER INDUSTRY

    OpenAIRE

    Nirenberg, Lawrence

    2009-01-01

    The goal of this paper is to analyse Israel?s water industry and explore global export opportunities. The first section outlines the development of Israel?s water industry through a historical, ideological and political scan of the country. The Key Success Factors that made Israel?s water management successful are identified at the end of the section. The second part of the paper conducts an industry analysis using Porter?s 5-force analysis plus government. The analysis identifies the threats...

  19. Calcium Aluminate Cement Hydration Model

    Directory of Open Access Journals (Sweden)

    Matusinović, T.

    2011-01-01

    Full Text Available Calcium aluminate cement (AC is a very versatile special cement used for specific applications. As the hydration of AC is highly temperature dependent, yielding structurally different hydration products that continuously alter material properties, a good knowledge of thermal properties at early stages of hydration is essential. The kinetics of AC hydration is a complex process and the use of single mechanisms models cannot describe the rate of hydration during the whole stage.This paper examines the influence of temperature (ϑ=5–20 °C and water-to-cement mass ratio (mH /mAC = 0.4; 0.5 and 1.0 on hydration of commercial iron-rich AC ISTRA 40 (producer: Istra Cement, Pula, Croatia, which is a part of CALUCEM group, Figs 1–3. The flow rate of heat generation of cement pastes as a result of the hydration reactions was measured with differential microcalorimeter. Chemically bonded water in the hydrated cement samples was determined by thermo-gravimetry.Far less heat is liberated when cement and water come in contact for the first time, Fig. 1, than in the case for portland cement (PC. Higher water-to-cement ratio increases the heat evolved at later ages (Fig. 3 due to higher quantity of water available for hydration. A significant effect of the water-to-cement ratio on the hydration rate and hydration degree showed the importance of water as being the limiting reactant that slows down the reaction early. A simplified stoichiometric model of early age AC hydration (eq. (8 based on reaction schemes of principal minerals, nominally CA, C12A7 and C4AF (Table 1, was employed. Hydration kinetics after the induction period (ϑ < 20 °C had been successfully described (Fig. 4 and Table 2 by a proposed model (eq. (23 which simultaneously comprised three main mechanisms: nucleation and growth, interaction at phase boundary, and mass transfer. In the proposed kinetic model the nucleation and growth is proportional to the amount of reacted minerals (eq

  20. Specific Ions Modulate Diffusion Dynamics of Hydration Water on Lipid Membrane Surfaces

    OpenAIRE

    Song, Jinsuk; Franck, John; Pincus, Philip; Kim, Mahn Won; Han, Songi

    2014-01-01

    Effects of specific ions on the local translational diffusion of water near large hydrophilic lipid vesicle surfaces were measured by Overhauser dynamic nuclear polarization (ODNP). ODNP relies on an unpaired electron spin-containing probe located at molecular or surface sites to report on the dynamics of water protons within ∼10 Å from the spin probe, which give rise to spectral densities for electron–proton cross-relaxation processes in the 10 GHz regime. This pushes nuclear magnetic resona...

  1. Is the Surface of Gas Hydrates Dry?

    OpenAIRE

    Nobuo Maeda

    2015-01-01

    Adhesion (cohesion) and agglomeration properties of gas hydrate particles have been a key to hydrate management in flow assurance in natural gas pipelines. Despite its importance, the relevant data in the area, such as the surface energy and the interfacial energy of gas hydrates with gas and/or water, are scarce; presumably due to the experimental difficulties involved in the measurements. Here we review what is known about the surface energy and the interfacial energy of gas hydrates to dat...

  2. Protein hydration and dynamics

    International Nuclear Information System (INIS)

    Inelastic neutron scattering can measure the protein thermal fluctuations under the physiological aqueous environment, especially it is powerful to observe the low-energy protein dynamics in THz region, which are revealed theoretically to be coupled with solvations. Neutron enables the selective observation of protein and hydration water by deuteration. The complementary analysis with molecular dynamics simulation is also effective for the study of protein hydration. Some examples of the application toward the understanding of molecular basis of protein functions will be introduced. (author)

  3. Understanding silicate hydration from quantitative analyses of hydrating tricalcium silicates

    OpenAIRE

    Pustovgar, Elizaveta; Sangodkar, Rahul P.; Andreev, Andrey S.; Palacios, Marta; Chmelka, Bradley F.; Robert J. Flatt; D'Espinose De Lacaillerie, Jean-Baptiste

    2016-01-01

    Silicate hydration is prevalent in natural and technological processes, such as, mineral weathering, glass alteration, zeolite syntheses and cement hydration. Tricalcium silicate (Ca3SiO5), the main constituent of Portland cement, is amongst the most reactive silicates in water. Despite its widespread industrial use, the reaction of Ca3SiO5 with water to form calcium-silicate-hydrates (C-S-H) still hosts many open questions. Here, we show that solid-state nuclear magnetic resonance measuremen...

  4. Binding of Divalent Cations to Polygalacturonate: A Mechanism Driven by the Hydration Water.

    Science.gov (United States)

    Huynh, Uyen T D; Lerbret, Adrien; Neiers, Fabrice; Chambin, Odile; Assifaoui, Ali

    2016-02-11

    We have investigated the interactions between polygalacturonate (polyGal) and four divalent cations (M(2+) = Ba(2+), Ca(2+), Mg(2+), Zn(2+)) that differ in size and affinity for water. Our results evidence that M(2+)-polyGal interactions are intimately linked to the affinity of M(2+) for water. Mg(2+) interacts so strongly with water that it remains weakly bound to polyGal (polycondensation) by sharing water molecules from its first coordination shell with the carboxylate groups of polyGal. In contrast, the other cations form transient ionic pairs with polyGal by releasing preferentially one water molecule (for Zn(2+)) or two (for Ca(2+) and Ba(2+)), which corresponds to monodentate and bidentate binding modes with carboxylates, respectively. The mechanism for the binding of these three divalent cations to polyGal can be described by two steps: (i) monocomplexation and formation of point-like cross-links between polyGal chains (at low M(2+)/Gal molar ratios, R) and (ii) dimerization (at higher R). The threshold molar ratio, R*, between these two steps depends on the nature of divalent cations and is lower for calcium ions (R* barium ions (R* > 0.3). This difference may be explained by the intermediate affinity of Ca(2+) for water with respect to those of Zn(2+) and Ba(2+), which may induce the formation of cross-links of intermediate flexibility. By comparison, the lower and higher flexibilities of the cross-links formed by Zn(2+) and Ba(2+), respectively, may shift the formation of dimers to higher molar ratios (R*). PMID:26771109

  5. Hydrated goethite (alpha-FeOOH) (100) interface structure: Ordered water and surface functional groups.

    Energy Technology Data Exchange (ETDEWEB)

    Ghose, S.K.; Waychunas, G.A.; Trainor, T.P.; Eng, P.J.

    2009-12-15

    Goethite({alpha}-FeOOH), an abundant and highly reactive iron oxyhydroxide mineral, has been the subject of numerous stud-ies of environmental interface reactivity. However, such studies have been hampered by the lack of experimental constraints on aqueous interface structure, and especially of the surface water molecular arrangements. Structural information of this type is crucial because reactivity is dictated by the nature of the surface functional groups and the structure or distribution of water and electrolyte at the solid-solution interface. In this study we have investigated the goethite(100) surface using surface diffraction techniques, and have determined the relaxed surface structure, the surface functional groups, and the three dimensional nature of two distinct sorbed water layers. The crystal truncation rod (CTR) results show that the interface structure consists of a double hydroxyl, double water terminated interface with significant atom relaxations. Further, the double hydroxyl terminated surface dominates with an 89% contribution having a chiral subdomain structure on the(100) cleavage faces. The proposed interface stoichiometry is ((H{sub 2}O)-(H{sub 2}O)-OH{sub 2}-OH-Fe-O-O-Fe-R) with two types of terminal hydroxyls; a bidentate (B-type) hydroxo group and a monodentate (A-type) aquo group. Using the bond-valence approach the protonation states of the terminal hydroxyls are predicted to be OH type (bidentate hydroxyl with oxygen coupled to two Fe{sup 3+} ions) and OH{sub 2} type (monodentate hydroxyl with oxygen tied to only one Fe{sup 3+}). A double layer three dimensional ordered water structure at the interface was determined from refinement of fits to the experimental data. Application of bond-valence constraints to the terminal hydroxyls with appropriate rotation of the water dipole moments allowed a plausible dipole orientation model as predicted. The structural results are discussed in terms of protonation and H-bonding at the interface

  6. Correlation between yields of positronium and hydrogen, excited molecules, hydrated electron appearing during water radiolysis

    International Nuclear Information System (INIS)

    Analytic expression for dependences of the yields of positronium (Ps) and radiolytic hydrogen (H2) on concentration of dissolved in water substances (acetone, H2O2, inorganic acids, salts of various metals) under 60Coγ-irradiation were obtained on the basis of assumptions about similarity of the mechanism of Ps and H2 formation - intratrack recombination with participation of nonhydrated electron. Found equations were used for analyzing large amount of experimental results. In majority of cases the dissolved substances effect alike on Ps and H2 yields. Some exceptions are explained in the framework of considered model. It was established that nonhydrated electron represents the direct precursor of not only Ps and radiolytic hydrogen but solvated electron and excited molecules appearing during radiolysis of water and organoaqueous solutions

  7. An Evaluation of Common Cleaning Methods for the Removal of a Clinical Isolate of Escherichia coli in Personal Hydration System Water Reservoirs.

    Science.gov (United States)

    Helmus, Stephanie; Blythe, Jauchia; Guevara, Peter; Washington, Michael A

    2016-01-01

    Waterborne infection is an important cause of morbidity and mortality throughout the world. Personal hydration packs have been used by military personnel since the Gulf War and are now a common issue item. Since military personnel tend to operate under austere conditions and may use a variety of water sources, preventing the acquisition of waterborne infections is extremely important. Further, since hydration pack water reservoir replacements may not be available during combat operations, the development of a reliable cleaning protocol for use in the field is essential. Several methods for cleaning have been described. In the current study, three common cleaning methodologies-bleach treatment, baking soda treatment, and proprietary CAMELBAK Cleaning Tabs™-were evaluated for the ability to remove Escherichia coli contamination from hydration pack water reservoirs. The study results suggest that the use of bleach and proprietary CAMELBAK tablets should be encouraged since they both operate by releasing bactericidal chlorine compounds into solution, which is more effective at reducing post-treatment bacterial burden. It should be noted that no method was 100% effective at completely eliminating bacteria from the reservoirs and that mechanical cleaning was not attempted. PMID:27450612

  8. Does a Water Protocol Improve the Hydration and Health Status of Individuals with Thin Liquid Aspiration Following Stroke? A Randomized Controlled Trial.

    Science.gov (United States)

    Murray, Jo; Doeltgen, Sebastian; Miller, Michelle; Scholten, Ingrid

    2016-06-01

    The benefit of water protocols for individuals with thin liquid aspiration remains controversial, with mixed findings from a small number of randomized controlled trials (RCTs). This study aimed to contribute to the evidence of the effectiveness of water protocols with a particular emphasis on health outcomes, especially hydration. An RCT was conducted with patients with known thin liquid aspiration post stroke randomized to receiving thickened liquids only or a water protocol. For the 14 participants in rehabilitation facilities whose data proceeded to analysis, there was no difference in the total amount of beverages consumed between the water protocol group (mean = 1103 ml per day, SD = 215 ml) and the thickened liquids only group (mean = 1103 ml, SD = 247 ml). Participants in the water protocol group drank on average 299 ml (SD 274) of water but offset this by drinking less of the thickened liquids. Their hydration improved over time compared with participants in the thickened liquids only group, but differences between groups were not significant. Twenty-one percent of the total sample was diagnosed with dehydration, and no participants in either group were diagnosed with pneumonia. There were significantly more diagnoses of urinary tract infection in the thickened liquids only group compared to the water protocol group (χ (2) = 5.091, p = 0.024), but no differences between groups with regard to diagnoses of dehydration (χ (2) = 0.884, p = 0.347) or constipation (χ (2) = 0.117, p = 0.733). The findings reinforce evidence about the relative safety of water protocols for patients in rehabilitation post stroke and provide impetus for future research into the potential benefits for hydration status and minimizing adverse health outcomes. PMID:26886370

  9. 甲烷水合物在纯水和抑制剂体系中的生成动力学%Kinetics of Methane Hydrate Formation in Pure Water and Inhibitor Containing Systems

    Institute of Scientific and Technical Information of China (English)

    裘俊红; 郭天民

    2002-01-01

    Kinetic data of methane hydrate formation in the presence of pure water, brines with single salt and mixed salts, and aqueous solutions of ethylene glycol(EG) and salt+EG were measured. A new kinetic model of hydrate formation for the methane-Fwater systems was developed based on a four-step formation mechanism and reaction kinetics approach. The proposed kinetic model predicts the kinetic behavior of methane hydrate formation in pure water with good accuracy. The feasibility of extending the kinetic model to salt(s) and EG containing systems was explored.

  10. Comparison of coconut water and a carbohydrate-electrolyte sport drink on measures of hydration and physical performance in exercise-trained men

    Directory of Open Access Journals (Sweden)

    Kalman Douglas S

    2012-01-01

    Full Text Available Abstract Background Sport drinks are ubiquitous within the recreational and competitive fitness and sporting world. Most are manufactured and artificially flavored carbohydrate-electrolyte beverages. Recently, attention has been given to coconut water, a natural alternative to manufactured sport drinks, with initial evidence indicating efficacy with regard to maintaining hydration. We compared coconut water and a carbohydrate-electrolyte sport drink on measures of hydration and physical performance in exercise-trained men. Methods Following a 60-minute bout of dehydrating treadmill exercise, 12 exercise-trained men (26.6 ± 5.7 yrs received bottled water (BW, pure coconut water (VitaCoco®: CW, coconut water from concentrate (CWC, or a carbohydrate-electrolyte sport drink (SD [a fluid amount based on body mass loss during the dehydrating exercise] on four occasions (separated by at least 5 days in a random order, single blind (subject and not investigators, cross-over design. Hydration status (body mass, fluid retention, plasma osmolality, urine specific gravity and performance (treadmill time to exhaustion; assessed after rehydration were determined during the recovery period. Subjective measures of thirst, bloatedness, refreshed, stomach upset, and tiredness were also determined using a 5-point visual analog scale. Results Subjects lost approximately 1.7 kg (~2% of body mass during the dehydrating exercise and regained this amount in a relatively similar manner following consumption of all conditions. No differences were noted between coconut water (CW or CWC and SD for any measures of fluid retention (p > 0.05. Regarding exercise performance, no significant difference (p > 0.05 was noted between BW (11.9 ± 5.9 min, CW (12.3 ± 5.8 min, CWC (11.9 ± 6.0 min, and SD (12.8 ± 4.9 min. In general, subjects reported feeling more bloated and experienced greater stomach upset with the CW and CWC conditions. Conclusion All tested beverages are

  11. Charge Density-Dependent Modifications of Hydration Shell Waters by Hofmeister Ions

    OpenAIRE

    Guo, Feng; Friedman, Joel M.

    2009-01-01

    Gadolinium (Gd3+) vibronic side band luminescence spectroscopy (GVSBLS) is used to probe, as a function of added Hofmeister series salts, changes in the OH stretching frequency derived from first shell waters of aqueous Gd3+ and of Gd3+ coordinated to three different types of molecules: i) a chelate (EDTA), ii) structured peptides (mSE3/SE2) of the lanthanide-binding tags (LBTs) family with a single high affinity binding site; and iii) a calcium binding protein (calmodulin) with four binding ...

  12. Uranyl p-toluenesulphonate and its crystal hydrates. Synthesis and dehydration-hydration processes

    International Nuclear Information System (INIS)

    Lowest hydrates of uranyl p-toluenesulphonate (UPTS) and anhydrous salt were synthesised. The dehydration-hydration processes were studied by thermal gravimetric analysis. It has been established that the hydrate shell of UPTS has a layered structure. The IR spectra of UPTS and its hydrates were recorded. It was found that the IR spectra of UPTS crystal hydrates of the same composition, produced in dehydration-hydration, noticeably differ in the range of water vibrations and are the same in the range corresponding to vibrations of sulphonate groups. (author)

  13. Uranyl p-toluenesulphonate and its crystal hydrates. Synthesis and dehydration-hydration processes

    Science.gov (United States)

    Baluev, A. V.; Mityakhina, V. S.; Bogachev, S. V.; Suglobova, I. G.

    2003-01-01

    Lowest hydrates of uranyl p-toluenesulphonate (UPTS) and anhydrous salt were synthesised. The dehydration-hydration processes were studied by thermal gravimetric analysis. It has been established that the hydrate shell of UPTS has a layered structure. The IR spectra of UPTS and its hydrates were recorded. It was found that the IR spectra of UPTS crystal hydrates of the same composition, produced in dehydration-hydration, noticeably differ in the range of water vibrations and are the same in the range corresponding to vibrations of sulphonate groups.

  14. Mean-Field Approximation to the Hydrophobic Hydration in the Liquid-Vapor Interface of Water.

    Science.gov (United States)

    Abe, Kiharu; Sumi, Tomonari; Koga, Kenichiro

    2016-03-01

    A mean-field approximation to the solvation of nonpolar solutes in the liquid-vapor interface of aqueous solutions is proposed. It is first remarked with a numerical illustration that the solvation of a methane-like solute in bulk liquid water is accurately described by the mean-field theory of liquids, the main idea of which is that the probability (Pcav) of finding a cavity in the solvent that can accommodate the solute molecule and the attractive interaction energy (uatt) that the solute would feel if it is inserted in such a cavity are both functions of the solvent density alone. It is then assumed that the basic idea is still valid in the liquid-vapor interface, but Pcav and uatt are separately functions of different coarse-grained local densities, not functions of a common local density. Validity of the assumptions is confirmed for the solvation of the methane-like particle in the interface of model water at temperatures between 253 and 613 K. With the mean-field approximation extended to the inhomogeneous system the local solubility profiles across the interface at various temperatures are calculated from Pcav and uatt obtained at a single temperature. The predicted profiles are in excellent agreement with those obtained by the direct calculation of the excess chemical potential over an interfacial region where the solvent local density varies most rapidly. PMID:26595441

  15. Ductile flow of methane hydrate

    Science.gov (United States)

    Durham, W.B.; Stern, L.A.; Kirby, S.H.

    2003-01-01

    Compressional creep tests (i.e., constant applied stress) conducted on pure, polycrystalline methane hydrate over the temperature range 260-287 K and confining pressures of 50-100 MPa show this material to be extraordinarily strong compared to other icy compounds. The contrast with hexagonal water ice, sometimes used as a proxy for gas hydrate properties, is impressive: over the thermal range where both are solid, methane hydrate is as much as 40 times stronger than ice at a given strain rate. The specific mechanical response of naturally occurring methane hydrate in sediments to environmental changes is expected to be dependent on the distribution of the hydrate phase within the formation - whether arranged structurally between and (or) cementing sediments grains versus passively in pore space within a sediment framework. If hydrate is in the former mode, the very high strength of methane hydrate implies a significantly greater strain-energy release upon decomposition and subsequent failure of hydrate-cemented formations than previously expected.

  16. Electrical measurement of the water content of the stratum corneum in vivo and in vitro under various conditions: comparison between skin surface hygrometer and corneometer in evaluation of the skin surface hydration state.

    Science.gov (United States)

    Hashimoto-Kumasaka, K; Takahashi, K; Tagami, H

    1993-10-01

    Two commercially available electrical instruments which evaluate the hydration state of the skin surface were compared in in vitro and in vivo experiments. The skin surface hygrometer (Skicon-200) employs high-frequency conductance, whereas the corneometer (CM 420, CM 820) uses electrical capacitance to determine the level of hydration. In a simulation model of in vivo stratum corneum (SC), the high frequency conductance device showed a much closer correlation with the hydration state of the surface SC (r = 0.99) than the capacitance device (r = 0.79), suggesting that the former can accurately assess the hydration dynamics of SC, particularly that due to the accumulation of easily releasable secondary bound water and free water. Both devices were insensitive to changes of hydration taking place in deeper viable skin tissues, e.g. the accumulated tissue fluids in suction blisters. Although the capacitance device correlated poorly with the hydration dynamics in normal SC, its sensitivity to changes occurring in extremely dry skin, such as scaly psoriatic lesions, suggests its measurements characteristics at an extremely low state of hydration, consisting of mostly bound water, such as noted in pathologic SC. PMID:7904396

  17. Understanding silicate hydration from quantitative analyses of hydrating tricalcium silicates.

    Science.gov (United States)

    Pustovgar, Elizaveta; Sangodkar, Rahul P; Andreev, Andrey S; Palacios, Marta; Chmelka, Bradley F; Flatt, Robert J; d'Espinose de Lacaillerie, Jean-Baptiste

    2016-01-01

    Silicate hydration is prevalent in natural and technological processes, such as, mineral weathering, glass alteration, zeolite syntheses and cement hydration. Tricalcium silicate (Ca3SiO5), the main constituent of Portland cement, is amongst the most reactive silicates in water. Despite its widespread industrial use, the reaction of Ca3SiO5 with water to form calcium-silicate-hydrates (C-S-H) still hosts many open questions. Here, we show that solid-state nuclear magnetic resonance measurements of (29)Si-enriched triclinic Ca3SiO5 enable the quantitative monitoring of the hydration process in terms of transient local molecular composition, extent of silicate hydration and polymerization. This provides insights on the relative influence of surface hydroxylation and hydrate precipitation on the hydration rate. When the rate drops, the amount of hydroxylated Ca3SiO5 decreases, thus demonstrating the partial passivation of the surface during the deceleration stage. Moreover, the relative quantities of monomers, dimers, pentamers and octamers in the C-S-H structure are measured. PMID:27009966

  18. Understanding silicate hydration from quantitative analyses of hydrating tricalcium silicates

    Science.gov (United States)

    Pustovgar, Elizaveta; Sangodkar, Rahul P.; Andreev, Andrey S.; Palacios, Marta; Chmelka, Bradley F.; Flatt, Robert J.; D'Espinose de Lacaillerie, Jean-Baptiste

    2016-03-01

    Silicate hydration is prevalent in natural and technological processes, such as, mineral weathering, glass alteration, zeolite syntheses and cement hydration. Tricalcium silicate (Ca3SiO5), the main constituent of Portland cement, is amongst the most reactive silicates in water. Despite its widespread industrial use, the reaction of Ca3SiO5 with water to form calcium-silicate-hydrates (C-S-H) still hosts many open questions. Here, we show that solid-state nuclear magnetic resonance measurements of 29Si-enriched triclinic Ca3SiO5 enable the quantitative monitoring of the hydration process in terms of transient local molecular composition, extent of silicate hydration and polymerization. This provides insights on the relative influence of surface hydroxylation and hydrate precipitation on the hydration rate. When the rate drops, the amount of hydroxylated Ca3SiO5 decreases, thus demonstrating the partial passivation of the surface during the deceleration stage. Moreover, the relative quantities of monomers, dimers, pentamers and octamers in the C-S-H structure are measured.

  19. Hydrophobic hydration driven self-assembly of curcumin in water: Similarities to nucleation and growth under large metastability, and an analysis of water dynamics at heterogeneous surfaces

    Science.gov (United States)

    Hazra, Milan Kumar; Roy, Susmita; Bagchi, Biman

    2014-11-01

    As the beneficial effects of curcumin have often been reported to be limited to its small concentrations, we have undertaken a study to find the aggregation properties of curcumin in water by varying the number of monomers. Our molecular dynamics simulation results show that the equilibrated structure is always an aggregated state with remarkable structural rearrangements as we vary the number of curcumin monomers from 4 to 16 monomers. We find that the curcumin monomers form clusters in a very definite pattern where they tend to aggregate both in parallel and anti-parallel orientation of the phenyl rings, often seen in the formation of β-sheet in proteins. A considerable enhancement in the population of parallel alignments is observed with increasing the system size from 12 to 16 curcumin monomers. Due to the prevalence of such parallel alignment for large system size, a more closely packed cluster is formed with maximum number of hydrophobic contacts. We also follow the pathway of cluster growth, in particular the transition from the initial segregated to the final aggregated state. We find the existence of a metastable structural intermediate involving a number of intermediate-sized clusters dispersed in the solution. We have constructed a free energy landscape of aggregation where the metatsable state has been identified. The course of aggregation bears similarity to nucleation and growth in highly metastable state. The final aggregated form remains stable with the total exclusion of water from its sequestered hydrophobic core. We also investigate water structure near the cluster surface along with their orientation. We find that water molecules form a distorted tetrahedral geometry in the 1st solvation layer of the cluster, interacting rather strongly with the hydrophilic groups at the surface of the curcumin. The dynamics of such quasi-bound water molecules near the surface of curcumin cluster is considerably slower than the bulk signifying a restricted

  20. Which, if any, hydrates will crystallise? Predicting hydrate formation of two dihydroxybenzoic acids†

    OpenAIRE

    Braun, Doris E.; Karamertzanis, Panagiotis G.; Price, Sarah L.

    2011-01-01

    A study of two dihydroxybenzoic acid isomers shows that computational methods can be used to predict hydrate formation, the compound : water ratio and hydrate crystal structures. The calculations also help identify a novel hydrate found in the solid form screening that validates this study.

  1. Distribution of gas hydrate inhibitor monoethylene glycol in condensate and water systems: Experimental measurement and thermodynamic modeling using the cubic-plus-association equation of state

    DEFF Research Database (Denmark)

    Riaz, Muhammad; Yussuf, Mustafe A.; Frost, Michael;

    2014-01-01

    data for liquid-liquid equilibrium of North Sea condensate + MEG and North Sea condensate + MEG + water systems for temperatures from 303.15 to 323.15 K and atmospheric pressure. These data are successfully modeled using the cubic-plus-association equation of state. © 2014 American Chemical Society....... hydrate formation in subsea pipelines, monoethylene glycol (MEG) and methanol are injected in large amounts. It is important to know the distribution of these chemicals in oil and water systems for economical operation of a production facility and environmental perspective. In this work, we present new...

  2. Dynamic nuclear polarization enhanced nuclear magnetic resonance and electron spin resonance studies of hydration and local water dynamics in micelle and vesicle assemblies.

    Science.gov (United States)

    McCarney, Evan R; Armstrong, Brandon D; Kausik, Ravinath; Han, Songi

    2008-09-16

    We present a unique analysis tool for the selective detection of local water inside soft molecular assemblies (hydrophobic cores, vesicular bilayers, and micellar structures) suspended in bulk water. Through the use of dynamic nuclear polarization (DNP), the (1)H NMR signal of water is amplified, as it interacts with stable radicals that possess approximately 658 times higher spin polarization. We utilized stable nitroxide radicals covalently attached along the hydrophobic tail of stearic acid molecules that incorporate themselves into surfactant-based micelle or vesicle structures. Here, we present a study of local water content and fluid viscosity inside oleate micelles and vesicles and Triton X-100 micelles to serve as model systems for soft molecular assemblies. This approach is unique because the amplification of the NMR signal is performed in bulk solution and under ambient conditions with site-specific spin labels that only detect the water that is directly interacting with the localized spin labels. Continuous wave (cw) electron spin resonance (ESR) analysis provides rotational dynamics of the spin-labeled molecular chain segments and local polarity parameters that can be related to hydration properties, whereas we show that DNP-enhanced (1)H NMR analysis of fluid samples directly provides translational water dynamics and permeability of the local environment probed by the spin label. Our technique therefore has the potential to become a powerful analysis tool, complementary to cw ESR, to study hydration characteristics of surfactant assemblies, lipid bilayers, or protein aggregates, where water dynamics is a key parameter of their structure and function. In this study, we find that there is significant penetration of water inside the oleate micelles with a higher average local water viscosity (approximately 1.8 cP) than in bulk water, and Triton X-100 micelles and oleate vesicle bilayers mostly exclude water while allowing for considerable surfactant chain

  3. Experimental water content measurements of carbon dioxide in equilibrium with hydrates at (223.15 to 263.15) K and (1.0 to 10.0) MPa

    International Nuclear Information System (INIS)

    Highlights: • Experimental water content data for carbon dioxide in equilibrium with hydrates. • Data required for setting drying requirements in carbon dioxide streams. • Comparison of experimental data with model predictions and available literature data. -- Abstract: The environmental impact of carbon dioxide has led to the need for capture and storage processes. Whenever water is present, at conditions inside the carbon dioxide hydrate stability zone, there is the possibility of hydrate formation which can cause problems such as pipeline restriction and blockage. To avoid such problems it is essential to know how dry the carbon dioxide needs to be. The measurement of the water content of carbon dioxide in equilibrium with hydrates at different temperature and pressure conditions gives a value below which hydrates will not form. There is a scarcity of relevant experimental data especially at low temperatures (<263.15 K). This is in part due to the challenging nature of making accurate equilibrium water content measurements at these conditions. The experimental data can be used to compare with predictions made using different thermodynamic models. This paper presents experimental equipment, methods and results for the water content of carbon dioxide in equilibrium with hydrates at temperatures between (223.15 and 263.15) K and pressures between (1.0 and 10.0) MPa, hence in both vapour and liquid phases. The experimental data are compared with predictions from an in-house (previously developed) thermodynamic model

  4. Hydration of portland cement, natural zeolite mortar in water and sulphate solution

    Directory of Open Access Journals (Sweden)

    Janotka, I.

    2003-03-01

    Full Text Available The objective of this paper is to characterise sulphate resistance of mortars made from ordinary Portland cement ( PC and Portland-pozzolan cement with 35 wt.% of zeolite addition (zeolite-blended cement-ZBC . Mortars with two different cement types were tested in water and 5% sodium sulphate solution for 720 days. A favourable effect of zeolite on increased sulphate resistance of the cement is caused by decrease in free Ca(OH2 content of the mortar There is not sufficient of Ca(OH2 available for reacting with the sulphate solution to form voluminous reaction products. A decreased C3A, content due to 35 wt.% replacement of PC by zeolite is the next pronounced factor improving resistance of the mortar with such blended cement.

    El objetivo de este trabajo ha sido estudiar la resistencia a los sulfatos de morteros preparados con cemento portland ordinario (PC y cemento portland puzolánico, con un 35% en peso de zeolita (zeolite-blended cement (ZBC. Ambos tipos de morteros fueron conservados en agua y en una disolución de sulfato sódico al 5% durante 720 días. Se observó una mayor resistencia a los sulfatos en el mortero preparado con el cemento que contenía zeolita debido a su menor contenido en Ca(OH2. No hay cantidad suficiente de Ca(OH2 para que se produzca la reacción de los constituyentes de la pasta con la disolución de sulfato sódico y formar así productos de naturaleza expansiva. La disminución en el contenido de C,3A, debida a la sustitución de un 35% en peso de PC por zeolita, es el factor más determinante en el aumento de la resistencia del mortero en los cementos con adición.

  5. Excess pore pressure and slope failures resulting from gas-hydrates dissociation and dissolution

    OpenAIRE

    Sultan, Nabil

    2007-01-01

    Parameters affecting gas hydrate formation include temperature, pore pressure, gas chemistry, and pore-water salinity. Any change in the equilibrium of these parameters may result in dissociation (gas-hydrate turns into free gas/water mixture) and/or dissolution (gas-hydrate becomes mixture of water and dissolved gas) of the gas hydrate. While, gas-hydrate dissociation at the base of the Gas Hydrate Occurrence Zone (GHOZ) is often considered as a major cause of sediment deformation and submar...

  6. Methane hydrates as potential energy resource: Part 2 - Methane production processes from gas hydrates

    International Nuclear Information System (INIS)

    Three processes have been proposed for dissociation of methane hydrates: thermal stimulation, depressurization, and inhibitor injection. The obvious production approaches involve depressurization, heating and their combinations. The depressurization method is lowering the pressure inside the well and encouraging the methane hydrate to dissociate. Its objective is to lower the pressure in the free-gas zone immediately beneath the hydrate stability zone, causing the hydrate at the base of the hydrate stability zone to decompose. The thermal stimulation method is applied to the hydrate stability zone to raise its temperature, causing the hydrate to decompose. In this method, a source of heat provided directly in the form of injected steam or hot water or another heated liquid, or indirectly via electric or sonic means. This causes methane hydrate to decompose and generates methane gas. The methane gas mixes with the hot water and returns to the surface, where the gas and hot water are separated. The chemical inhibition method seeks to displace the natural-gas hydrate equilibrium condition beyond the hydrate stability zone's thermo-dynamic conditions through injection of a liquid inhibitor chemical adjacent to the hydrate. In this method, inhibitor such as methanol is injected from surface down to methane hydrate-bearing layers. The thermal stimulation method is quite expensive. The chemical inhibitor injection method is also expensive. The depressurization method may prove useful to apply more than one production.

  7. Coupled multiphysics modeling of gas hydrate bearing sediments

    OpenAIRE

    Sanchez, Marcelo; Gai, Xuerui; Santamarina, J. Carlos

    2014-01-01

    Gas hydrates are crystalline clathrate compounds made of water and a low molecular gas like methane (Sloan 1998). Gas hydrates are generally present in oil-producing areas and in permafrost regions. Methane hydrate deposits can lead to large-scale submarine slope failures, blowouts, platform foundation failures, and -borehole instability. Gas hydrates constitute also an attractive source of energy as they are estimated to contain very large reserves of methane. Hydrate formation, dissociation...

  8. Experimental Investigation of Effect on Hydrate Formation in Spray Reactor

    OpenAIRE

    Jianzhong Zhao; Yaqin Tian; Yangsheng Zhao; Wenping Cheng

    2015-01-01

    The effects of reaction condition on hydrate formation were conducted in spray reactor. The temperature, pressure, and gas volume of reaction on hydrate formation were measured in pure water and SDS solutions at different temperature and pressure with a high-pressure experimental rig for hydrate formation. The experimental data and result reveal that additives could improve the hydrate formation rate and gas storage capacity. Temperature and pressure can restrict the hydrate formation. Lower ...

  9. Experimental Investigation of Effect on Hydrate Formation in Spray Reactor

    Directory of Open Access Journals (Sweden)

    Jianzhong Zhao

    2015-01-01

    Full Text Available The effects of reaction condition on hydrate formation were conducted in spray reactor. The temperature, pressure, and gas volume of reaction on hydrate formation were measured in pure water and SDS solutions at different temperature and pressure with a high-pressure experimental rig for hydrate formation. The experimental data and result reveal that additives could improve the hydrate formation rate and gas storage capacity. Temperature and pressure can restrict the hydrate formation. Lower temperature and higher pressure can promote hydrate formation, but they can increase production cost. So these factors should be considered synthetically. The investigation will promote the advance of gas storage technology in hydrates.

  10. Hydration in soccer: a review

    OpenAIRE

    Monteiro Cristiano Ralo; Guerra Isabela; Barros Turíbio Leite de

    2003-01-01

    Hydration should be considered before, during and after the exercise. This review intends to approach the main points of hydration process in soccer. The replacement of fluids during exercise is proportional to some factors, such as: exercise intensity; climatic conditions; the athlete's acclimatization; the athlete's physical conditioning; physiologic individual characteristics and the player's biomechanics. Performance is improved when players ingest not only water but also carbohydrate. Th...

  11. Is the Surface of Gas Hydrates Dry?

    Directory of Open Access Journals (Sweden)

    Nobuo Maeda

    2015-06-01

    Full Text Available Adhesion (cohesion and agglomeration properties of gas hydrate particles have been a key to hydrate management in flow assurance in natural gas pipelines. Despite its importance, the relevant data in the area, such as the surface energy and the interfacial energy of gas hydrates with gas and/or water, are scarce; presumably due to the experimental difficulties involved in the measurements. Here we review what is known about the surface energy and the interfacial energy of gas hydrates to date. In particular, we ask a question as to whether pre-melting can occur on the surface of gas hydrates. Surface thermodynamic analyses show that pre-melting is favoured to occur on the surface of gas hydrates, however, not sufficient data are available to assess its thickness. The effects of the existence of pre-melting layers on the cohesion and friction forces between gas hydrate particles are also discussed.

  12. The role of hydration on the mechanism of allosteric regulation: in situ measurements of the oxygen-linked kinetics of water binding to hemoglobin.

    Science.gov (United States)

    Salvay, Andrés G; Grigera, J Raúl; Colombo, Marcio F

    2003-01-01

    We report here the first direct measurements of changes in protein hydration triggered by a functional binding. This task is achieved by weighing hemoglobin (Hb) and myoglobin films exposed to an atmosphere of 98% relative humidity during oxygenation. The binding of the first oxygen molecules to Hb tetramer triggers a change in protein conformation, which increases binding affinity to the remaining empty sites giving rise to the appearance of cooperative phenomena. Although crystallographic data have evidenced that this structural change increases the protein water-accessible surface area, isobaric osmotic stress experiments in aqueous cosolutions have shown that water binding is linked to Hb oxygenation. Now we show that the differential hydration between fully oxygenated and fully deoxygenated states of these proteins, determined by weighing protein films with a quartz crystal microbalance, agree with the ones determined by osmotic stress in aqueous cosolutions, from the linkage between protein oxygen affinity and water activity. The agreements prove that the changes in water activity brought about by adding osmolytes to the buffer solution shift biochemical equilibrium in proportion to the number of water molecules associated with the reaction. The concomitant kinetics of oxygen and of water binding to Hb have been also determined. The data show that the binding of water molecules to the extra protein surface exposed on the transition from the low-affinity T to the high-affinity R conformations of hemoglobin is the rate-limiting step of Hb cooperative reaction. This evidences that water binding is a crucial step on the allosteric mechanism regulating cooperative interactions, and suggests the possibility that environmental water activity might be engaged in the kinetic control of some important reactions in vivo. PMID:12524309

  13. Hydration of B-DNA: comparison between the water network around poly(dG).poly(dC) and poly(dG-dC).poly(dG-dC) on the basis of Monte Carlo computations.

    Science.gov (United States)

    Eisenhaber, F; Tumanyan, V G; Eisenmenger, F; Gunia, W

    1989-03-01

    A computational method is elaborated for studying the water environment around regular polynucleotide duplexes; it allows rigorous structural information on the hydration shell of DNA to be obtained. The crucial aspect of this Monte Carlo simulation is the use of periodical boundary conditions. The output data consists of local maxima of water density in the space near the DNA molecule and the properties of one- and two-membered water bridges as function of pairs of polar groups of DNA. In the present paper the results for poly(dG).poly(dC) and poly(dG-dC).poly(dG-dC) are presented. The differences in their hydration shells are of a purely structural nature and are caused by the symmetry of the polar groups of the polymers under study, the symmetry being reflected by the hydration shell. The homopolymer duplex hydration shell mirrors the mononucleotide repeat. The water molecules contacting the polynucleotide in the minor groove are located nearly in the plane midway between the planes of successive base pairs. One water molecule per base pair forms a water bridge facing two polar groups of bases from adjacent base pairs and on different strands making a "spine"-like structure. In contrast, the major groove hydration is stabilized exclusively by two-membered water bridges; the water molecules deepest in the groove are concentrated near the plane of the corresponding base pair. The alternating polymer is characterized by a marked dyad symmetry of the hydration shell corresponding to the axis between two successive base pairs. The minor groove hydration of the dCpdG step resembles the characteristic features of the homopolymer, but the bridge between the O2 oxygens of the other base-stacking type is formed by two water molecules. The major groove hydration is characterized by high probability of one-membered water bridges and by localization of a water molecule on the dyad axis of the dGpdC step. The found structural elements are discussed as reasonable invariants of

  14. Preconcentration of traces of uranium in water samples by its co-precipitation with hydrated titanium oxide, and its ultra-trace determination by fluorimetry - a green method

    International Nuclear Information System (INIS)

    A highly useful method for the pre-concentration of uranium in water samples followed by its determination in ppb level by conventional fluorimetry has been developed. The method is based upon coprecipitation of uranium with hydrated titanium oxide, dissolving the precipitate after filtration in minimum quantity of dil.HNO3 followed by the determination of uranium directly by conventional fluorimetry. Milligram level of titanium present along with uranium does not interfere in the fluorimetric determination of uranium because titanium in no way quenches/affects uranium fluorescence. By this process, ppb level of uranium present in waters can easily be determined by conventional fluorimetry when Laser fluorimeter is not available or the laser intensity of the fluorimeter depleted beyond detection limit. In some of the water samples where either TDS values are extremely high or organic load is more, the values of uranium determined by the present technique are more reliable than those obtained from Laser fluorimetry, as has been observed by us. In the other pre-concentration techniques based upon the coprecipitation of uranium with hydrated iron or aluminium oxides, either uranium is required to be selectively separated from the bulk of the precipitating elements or the precipitating element itself such as iron or aluminium is required to be separated from uranium, because these elements quench uranium fluorescence. Analysis of uranium in geochemical samples in the field is expected to be rapid and the methods involving lengthy extractive steps are not suitable

  15. Development of Alaskan gas hydrate resources

    Energy Technology Data Exchange (ETDEWEB)

    Kamath, V.A.; Sharma, G.D.; Patil, S.L.

    1991-06-01

    The research undertaken in this project pertains to study of various techniques for production of natural gas from Alaskan gas hydrates such as, depressurization, injection of hot water, steam, brine, methanol and ethylene glycol solutions through experimental investigation of decomposition characteristics of hydrate cores. An experimental study has been conducted to measure the effective gas permeability changes as hydrates form in the sandpack and the results have been used to determine the reduction in the effective gas permeability of the sandpack as a function of hydrate saturation. A user friendly, interactive, menu-driven, numerical difference simulator has been developed to model the dissociation of natural gas hydrates in porous media with variable thermal properties. A numerical, finite element simulator has been developed to model the dissociation of hydrates during hot water injection process.

  16. Natural Gas Hydrates

    OpenAIRE

    Ersland, Geir

    2010-01-01

    The experimental set-up with the MRI monitoring apparatus was capable of forming large quantities of methane hydrates in sandstone pores and monitor hydrate growth patterns for various initial conditions. Spontaneous conversion of methane hydrate to carbon dioxide hydrate occurred when methane hydrate, in porous media, was exposed to liquid carbon dioxide. The MRI images did not detect any significant increase in signal in the hydrate saturated cores that would indicate the presence of free w...

  17. Crystal structure and hydrogen bonding in the water-stabilized proton-transfer salt brucinium 4-amino­phenyl­arsonate tetra­hydrate

    Science.gov (United States)

    Smith, Graham; Wermuth, Urs D.

    2016-01-01

    In the structure of the brucinium salt of 4-amino­phenyl­arsonic acid (p-arsanilic acid), systematically 2,3-dimeth­oxy-10-oxostrychnidinium 4-amino­phenyl­ar­son­ate tetra­hydrate, (C23H27N2O4)[As(C6H7N)O2(OH)]·4H2O, the brucinium cations form the characteristic undulating and overlapping head-to-tail layered brucine substructures packed along [010]. The arsanilate anions and the water mol­ecules of solvation are accommodated between the layers and are linked to them through a primary cation N—H⋯O(anion) hydrogen bond, as well as through water O—H⋯O hydrogen bonds to brucinium and arsanilate ions as well as bridging water O-atom acceptors, giving an overall three-dimensional network structure. PMID:27308034

  18. Crystal structure and hydrogen bonding in the water-stabilized proton-transfer salt brucinium 4-amino-phenyl-arsonate tetra-hydrate.

    Science.gov (United States)

    Smith, Graham; Wermuth, Urs D

    2016-05-01

    In the structure of the brucinium salt of 4-amino-phenyl-arsonic acid (p-arsanilic acid), systematically 2,3-dimeth-oxy-10-oxostrychnidinium 4-amino-phenyl-ar-son-ate tetra-hydrate, (C23H27N2O4)[As(C6H7N)O2(OH)]·4H2O, the brucinium cations form the characteristic undulating and overlapping head-to-tail layered brucine substructures packed along [010]. The arsanilate anions and the water mol-ecules of solvation are accommodated between the layers and are linked to them through a primary cation N-H⋯O(anion) hydrogen bond, as well as through water O-H⋯O hydrogen bonds to brucinium and arsanilate ions as well as bridging water O-atom acceptors, giving an overall three-dimensional network structure. PMID:27308034

  19. Synthesis, dehydration and hydration processes of uranyl p-toluenesulfonate and its crystal hydrates

    International Nuclear Information System (INIS)

    Uranyl p-toluenesulfonate was synthesized and studied. This salt crystallizes from aqueous solution as pentahydrate. Its solubility is 2.57 mol/kg at 25 Deg C. Anhydrous salt and lower hydrates were prepared. Hydration of the anhydrous salt in the air at various steam pressures are studied. Thermogravimetric data show that uranyl p-toluenesulfonate pentahydrate has the layered structure of hydration shell. IR spectra of crystal hydrates with the same composition obtained by means of dehydration-hydration procedure are the same in the region of frequencies of sulfonate group and differ in the region of water vibrations

  20. INFLUENCE OF THE COMPOSITION OF PHOSPHATE ROCK ON THE AMOUNT OF WATER-INSOLUBLE PHOSPHATE IMPURITIES IN SEMI-HYDRATE PHOSPHOGYPSUM

    Directory of Open Access Journals (Sweden)

    Nora Kybartiene

    2015-03-01

    Full Text Available In this work a chemical and mineral composition of phosphate rock and phosphogypsum was investigated in order to identify which impurities of phosphate rock prevent natural phosphates from decomposing in full during the production of phosphoric acid and increase the amount of water-insoluble phosphate impurities in phosphogypsum. The analysis of X-ray diffraction (XRF, X-ray fluorescence (XRD, scanning electron microscopy with energy dispersive X-Ray spectrometry (SEM-EDS and granulometry was carried out. The results showed that phosphate rocks (Kovdor and Kirovsk apatites and the semi-hydrate phosphogypsums differ by their chemical composition. The apatites and phosphogypsums differ in the amount of the major components, as well as other components (MgO, Al2O3, SrO, BaO, ZrO2, Ln2O3. In phosphate rock, Ln2O3 can be found in the composition of the mineral monazite. The SEM-EDS analysis revealed that the minerals of the apatite group and monazite form aggregate crystals. Monazite dissolves in sulphuric and phosphoric acids very marginal, therefore it prevents the apatites from full decomposition, thus influencing the quantity of insoluble phosphates in semi-hydrate phosphogypsum. The higher is the amount of minerals containing Ln2O3 in phosphate rock, the more water-insoluble phosphates remain in phosphogypsum. It was found that influence of Ln2O3 impurity is significant higher than influence of particles size of apatite.

  1. Coupled measurement of δ18O/δD in gypsum hydration water and salinity of fluid inclusions in gypsum: A novel tool for reconstructing parent water chemistry and depositional environment

    Science.gov (United States)

    Evans, Nick; Gázquez, Fernando; Turchyn, Alexandra; Chapman, Hazel; Hodell, David

    2015-04-01

    The measurement of oxygen and hydrogen isotopes in gypsum hydration water (CaSO4•2H2O) is a powerful tool to determine the isotopic composition of the parent fluid from which gypsum precipitated. To be useful, however, the hydration water must retain its original isotope signal and not have undergone postdepositional exchange. We developed a novel method to ascertain whether hydration waters have secondarily exchanged by coupling oxygen and hydrogen isotopes of gypsum hydration water with the salinities of fluid inclusions. Salinity is obtained through microthermometric analysis of the same gypsum crystals measured for hydration water by freezing the sample and then measuring the melting point of the fluid inclusions. We apply the method to Messinian gypsum deposits of Cycle 6 within the Yesares Member, Río de Aguas section, Sorbas Basin (SE Spain). After correction of oxygen and hydrogen isotopes of gypsum hydration water for fractionation factors, the estimated range of the mother water is -1.8o to 2.8o for δ18O and -12.5o to 16.3o for δD. In the same samples, estimated salinity of primary fluid inclusions range from 18 to 51ppt. Salinity is highly correlated with δ18O and δD, yielding an r2 of 0.88 and 0.87, respectively. The intercepts of the regression equations (i.e., at zero salinity) define the isotope composition of the freshwater endmember, and average -4.4±1.3o for δ18O and -28.9±8.7o for δD. These values are within error of the average isotope composition of precipitation and groundwater data from the local region of Almería today (-4.3o and -22.2o for δ18O and δD, respectively). This agreement provides strong evidence that the gypsum hydration water has retained its isotope composition and has not undergone postdepositional exchange. Furthermore, the isotope and salinity values indicate a significant contribution of meteoric water during gypsum deposition. This observation contrasts with sulfur and oxygen isotopes in sulfate (21.9 > δ34S

  2. The effect of methane hydrate morphology and water saturation on seismic wave attenuation in sand under shallow sub-seafloor conditions

    OpenAIRE

    Best, Angus I.; Priest, Jeffrey A.; Clayton, Christopher R.I.; Rees, Emily V.L.

    2013-01-01

    A better understanding of seismic wave attenuation in hydrate-bearing sediments is needed for the improved geophysical quantification of seafloor methane hydrates, important for climate change, geohazard and economic resource assessment. Hence, we conducted a series of small strain (

  3. Desalination utilizing clathrate hydrates (LDRD final report).

    Energy Technology Data Exchange (ETDEWEB)

    Simmons, Blake Alexander; Bradshaw, Robert W.; Dedrick, Daniel E.; Cygan, Randall Timothy (Sandia National Laboratories, Albuquerque, NM); Greathouse, Jeffery A. (Sandia National Laboratories, Albuquerque, NM); Majzoub, Eric H. (University of Missouri, Columbia, MO)

    2008-01-01

    Advances are reported in several aspects of clathrate hydrate desalination fundamentals necessary to develop an economical means to produce municipal quantities of potable water from seawater or brackish feedstock. These aspects include the following, (1) advances in defining the most promising systems design based on new types of hydrate guest molecules, (2) selection of optimal multi-phase reactors and separation arrangements, and, (3) applicability of an inert heat exchange fluid to moderate hydrate growth, control the morphology of the solid hydrate material formed, and facilitate separation of hydrate solids from concentrated brine. The rate of R141b hydrate formation was determined and found to depend only on the degree of supercooling. The rate of R141b hydrate formation in the presence of a heat exchange fluid depended on the degree of supercooling according to the same rate equation as pure R141b with secondary dependence on salinity. Experiments demonstrated that a perfluorocarbon heat exchange fluid assisted separation of R141b hydrates from brine. Preliminary experiments using the guest species, difluoromethane, showed that hydrate formation rates were substantial at temperatures up to at least 12 C and demonstrated partial separation of water from brine. We present a detailed molecular picture of the structure and dynamics of R141b guest molecules within water cages, obtained from ab initio calculations, molecular dynamics simulations, and Raman spectroscopy. Density functional theory calculations were used to provide an energetic and molecular orbital description of R141b stability in both large and small cages in a structure II hydrate. Additionally, the hydrate of an isomer, 1,2-dichloro-1-fluoroethane, does not form at ambient conditions because of extensive overlap of electron density between guest and host. Classical molecular dynamics simulations and laboratory trials support the results for the isomer hydrate. Molecular dynamics simulations

  4. Hydrate and alkoxide forms of molybdophosphoric heteropoly acid and specific features of their formation under conditions of isothermal absorption of water, methanol, and ethanol vapors

    International Nuclear Information System (INIS)

    By the gravimetry method it was ascertained that interaction of vapors of water, methanol and ethanol with solid molybdophosphoric acid at room temperature is accompanied by formation of volumetric hydrates and alcoholates proceeding in several stages, clearly defined during isotherm recording under sorption and desorption conditions. Formation of alcoholates gives rise to loosening of the acid lattice, which dictates largely more active absorption of alcohols at the first stages of sorption compared with water and, when the compositions H3PMo12O40 · 11.5 CH3OH and H3PMo12O40 · 14.7 C2H5OH is attained, it results in their liquefying

  5. The importance of liquid phase compositions in gas hydrate modeling: Carbon dioxide–methane–water case study

    International Nuclear Information System (INIS)

    Highlights: • The effect of liquid phase compositions when modeling gas hydrate systems was demonstrated. • VLE predictions were found to be greatly dependent on liquid phase compositions for two and three component systems. • Liquid composition predictions were found to be highly dependent on interaction parameters compared to gas compositions. • When interaction parameters are optimized based on vapor data only, liquid compositions of H-Lw-V systems are inadequate. -- Abstract: Liquid compositions obtained through vapor + liquid + hydrate equilibrium modeling are often neglected and not reported in literature. This work demonstrates the sensitivity and importance of the liquid phase compositions on selected models and parameters. The equations of state used to model two-phase systems are the Soave–Redlich–Kwong, the Valderrama–Patel–Teja and the Trebble–Bishnoi equations of state. The modeling analysis for three-phase systems is based on the Trebble–Bishnoi equation of state along with the model by van der Waals and Platteeuw. The vapor + liquid equilibrium model predictions at gas hydrate formation conditions were found to be greatly dependant on the liquid phase compositions. At the three-phase equilibrium, small modifications in the equation of state’s interaction parameters significantly affected the liquid composition predictions while leaving the vapor compositions mostly unchanged. Lastly, the interaction parameters were optimized for the two phases separately using vapor + liquid equilibrium data. When optimized only for liquid, vapor and liquid compositions were predicted correctly. However, when optimized only for vapor, liquid compositions failed to fit experimental data

  6. Study of the action of phosphate ions contained in the mixing water on the hydration of a Portland cement

    International Nuclear Information System (INIS)

    Cementation is considered as the most attractive solution for the conditioning of low and intermediate radioactive wastes. The species contained in these wastes can strongly influence the reactivity of the cement pastes, it is in particular the case of the ortho-phosphate ions which are found in the evaporation concentrates. The aim of our work was to determine the influence of these ions on the hydration and the rheological properties of the cement pastes at early age as well as the mechanical and physical properties on the hardened material. (author)

  7. Development of hydrate risk quantification in oil and gas production

    Science.gov (United States)

    Chaudhari, Piyush N.

    Subsea flowlines that transport hydrocarbons from wellhead to the processing facility face issues from solid deposits such as hydrates, waxes, asphaltenes, etc. The solid deposits not only affect the production but also pose a safety concern; thus, flow assurance is significantly important in designing and operating subsea oil and gas production. In most subsea oil and gas operations, gas hydrates form at high pressure and low temperature conditions, causing the risk of plugging flowlines, with a undesirable impact on production. Over the years, the oil and gas industry has shifted their perspective from hydrate avoidance to hydrate management given several parameters such as production facility, production chemistry, economic and environmental concerns. Thus, understanding the level of hydrate risk associated with subsea flowlines is an important in developing efficient hydrate management techniques. In the past, hydrate formation models were developed for various flow-systems (e.g., oil dominated, water dominated, and gas dominated) present in the oil and gas production. The objective of this research is to extend the application of the present hydrate prediction models for assessing the hydrate risk associated with subsea flowlines that are prone to hydrate formation. It involves a novel approach for developing quantitative hydrate risk models based on the conceptual models built from the qualitative knowledge obtained from experimental studies. A comprehensive hydrate risk model, that ranks the hydrate risk associated with the subsea production system as a function of time, hydrates, and several other parameters, which account for inertial, viscous, interfacial forces acting on the flow-system, is developed for oil dominated and condensate systems. The hydrate plugging risk for water dominated systems is successfully modeled using The Colorado School of Mines Hydrate Flow Assurance Tool (CSMHyFAST). It is found that CSMHyFAST can be used as a screening tool in

  8. Water dynamics on ice and hydrate lattices studied by second-order central-line stimulated-echo oxygen-17 nuclear magnetic resonance

    International Nuclear Information System (INIS)

    Oxygen-17 stimulated-echo spectroscopy is a novel nuclear magnetic resonance (NMR) technique that allows one to investigate the time scale and geometry of ultraslow molecular motions in materials containing oxygen. The method is based on detecting orientationally encoded frequency changes within oxygen’s central-transition NMR line that are caused by second-order quadrupolar interactions. In addition to the latter, the present theoretical analysis of various two-pulse echo and stimulated-echo pulse sequences takes also heteronuclear dipolar interactions into account. As an experimental example, the ultraslow water motion in polycrystals of tetrahydrofuran clathrate hydrate is studied via two-time oxygen-17 stimulated-echo correlation functions. The resulting correlation times and those of hexagonal ice are similar to those from previous deuteron NMR measurements. Calculations of the echo functions’ final-state correlations for various motional models are compared with the experimental data of the clathrate hydrate. It is found that a six-site model including the oxygen-proton dipolar interaction describes the present results

  9. Low pH cements based on CAC for underground repositories of HLW: long-term hydration and resistance against ground water aggression

    International Nuclear Information System (INIS)

    Cementitious materials play an important role in the structural stability and integrity of a purpose built repository for the geological disposal of high level waste. However, the expected generation of an alkaline plume from the concrete by the ingress of groundwater would have detrimental effects on the intended use of a bentonite buffer. To limit this risk, low-pH cementitious materials are being developed to have a target pH < 11 corresponding to the upper stability limit of bentonite. This paper deals with the modifications generated in the chemical composition of the pore solutions of low-pH cement pastes based on Calcium Aluminates Cements (CAC) and in their solid phases after 2 years of hydration. The results show a high stability of the solid phases formed in short-term (90 days). The main modifications in the pore solution composition and in the solid phases occur before 90 days of hydration and, after that, their properties keep quite stable. This paper also deals with the resistance of these low-pH cementitious materials to long-term groundwater aggression using two types of aggressive agents: deionized water and groundwater from the real site of Aespoe (Sweden). Low-pH concretes based on CAC plus silica fume have been evaluated. It appears that their behaviour depends on the leaching agent composition but, with the 2 agents tested in this work, the produced low-pH concretes show a good resistance

  10. Water dynamics on ice and hydrate lattices studied by second-order central-line stimulated-echo oxygen-17 nuclear magnetic resonance

    Science.gov (United States)

    Adjei-Acheamfour, Mischa; Tilly, Julius F.; Beerwerth, Joachim; Böhmer, Roland

    2015-12-01

    Oxygen-17 stimulated-echo spectroscopy is a novel nuclear magnetic resonance (NMR) technique that allows one to investigate the time scale and geometry of ultraslow molecular motions in materials containing oxygen. The method is based on detecting orientationally encoded frequency changes within oxygen's central-transition NMR line that are caused by second-order quadrupolar interactions. In addition to the latter, the present theoretical analysis of various two-pulse echo and stimulated-echo pulse sequences takes also heteronuclear dipolar interactions into account. As an experimental example, the ultraslow water motion in polycrystals of tetrahydrofuran clathrate hydrate is studied via two-time oxygen-17 stimulated-echo correlation functions. The resulting correlation times and those of hexagonal ice are similar to those from previous deuteron NMR measurements. Calculations of the echo functions' final-state correlations for various motional models are compared with the experimental data of the clathrate hydrate. It is found that a six-site model including the oxygen-proton dipolar interaction describes the present results.

  11. Water dynamics on ice and hydrate lattices studied by second-order central-line stimulated-echo oxygen-17 nuclear magnetic resonance

    Energy Technology Data Exchange (ETDEWEB)

    Adjei-Acheamfour, Mischa; Tilly, Julius F.; Beerwerth, Joachim; Böhmer, Roland [Fakultät Physik, Technische Universität Dortmund, 44221 Dortmund (Germany)

    2015-12-07

    Oxygen-17 stimulated-echo spectroscopy is a novel nuclear magnetic resonance (NMR) technique that allows one to investigate the time scale and geometry of ultraslow molecular motions in materials containing oxygen. The method is based on detecting orientationally encoded frequency changes within oxygen’s central-transition NMR line that are caused by second-order quadrupolar interactions. In addition to the latter, the present theoretical analysis of various two-pulse echo and stimulated-echo pulse sequences takes also heteronuclear dipolar interactions into account. As an experimental example, the ultraslow water motion in polycrystals of tetrahydrofuran clathrate hydrate is studied via two-time oxygen-17 stimulated-echo correlation functions. The resulting correlation times and those of hexagonal ice are similar to those from previous deuteron NMR measurements. Calculations of the echo functions’ final-state correlations for various motional models are compared with the experimental data of the clathrate hydrate. It is found that a six-site model including the oxygen-proton dipolar interaction describes the present results.

  12. Selected specific rates of reactions of transients from water in aqueous solution. Hydrated electron, supplemental data. [Reactions with transients from water, with inorganic solutes, and with solutes

    Energy Technology Data Exchange (ETDEWEB)

    Ross, A.B.

    1975-06-01

    A compilation of rates of reactions of hydrated electrons with other transients and with organic and inorganic solutes in aqueous solution appeared in NSRDS-NBS 43, and covered the literature up to early 1971. This supplement includes additional rates which have been published through July 1973.

  13. The interrelationship of research in the laboratory and the field to assess hydration status and determine mechanisms involved in water regulation during physical activity.

    Science.gov (United States)

    Stachenfeld, Nina S

    2014-05-01

    Changes in skin blood and sweating are the primary mechanisms for heat loss in humans. A hot, humid environment concomitant with dehydration limits the ability to increase skin blood flow for the purpose of transferring heat from the body core to skin surface and evaporate sweat to maintain core temperature within safe limits during exercise. Adequate hydration improves thermoregulation by maintaining blood volume to support skin blood flow and sweating. Humans rely on fluid intake to maintain total body water and blood volume, and have developed complex mechanisms to sense changes in the amount and composition of fluid in the body. This paper addresses the interrelationship of research in the laboratory and the field to assess hydration status involved in body water and temperature regulation during exercise. In the controlled setting of a research laboratory, investigators are able to investigate the contributions of volume and tonicity of fluid in the plasma to body water and temperature regulation during exercise and recovery. For example, laboratory studies have shown that tonicity in a rehydration beverage maintains the thirst mechanism (and stimulates drinking), and contributes to the ongoing stimulation of renal fluid retention hormones, ultimately leading to a more complete rehydration. Research in the field cannot control the environment precisely, but these studies provide a natural, 'real-life' setting to study fluid and temperature regulation during exercise. The conditions encountered in the field are closest to the environment during competition, and data collected in the field can have an immediate impact on performance and safety during exercise. There is an important synergy between these two methods of collecting data that support performance and protect athletes from harm during training and improve performance during competition. PMID:24791921

  14. Thermodynamics of water dimer dissociation in the primary hydration shell of the iodide ion with temperature-dependent vibrational predissociation spectroscopy.

    Science.gov (United States)

    Wolke, Conrad T; Menges, Fabian S; Tötsch, Niklas; Gorlova, Olga; Fournier, Joseph A; Weddle, Gary H; Johnson, Mark A; Heine, Nadja; Esser, Tim K; Knorke, Harald; Asmis, Knut R; McCoy, Anne B; Arismendi-Arrieta, Daniel J; Prosmiti, Rita; Paesani, Francesco

    2015-03-12

    The strong temperature dependence of the I(-)·(H2O)2 vibrational predissociation spectrum is traced to the intracluster dissociation of the ion-bound water dimer into independent water monomers that remain tethered to the ion. The thermodynamics of this process is determined using van't Hoff analysis of key features that quantify the relative populations of H-bonded and independent water molecules. The dissociation enthalpy of the isolated water dimer is thus observed to be reduced by roughly a factor of three upon attachment to the ion. The cause of this reduction is explored with electronic structure calculations of the potential energy profile for dissociation of the dimer, which suggest that both reduction of the intrinsic binding energy and vibrational zero-point effects act to weaken the intermolecular interaction between the water molecules in the first hydration shell. Additional insights are obtained by analyzing how classical trajectories of the I(-)·(H2O)2 system sample the extended potential energy surface with increasing temperature. PMID:25647222

  15. First principles calculations on oxygen vacant hydrated α-MnO2 for activating water oxidation and its self-healing mechanism.

    Science.gov (United States)

    Ganesan, Kruthika; Murugan, P

    2016-08-10

    Understanding the mechanism behind water oxidation is the prime requirement for designing better catalysts for electrochemical energy devices. In this work, we demonstrate by employing first principles calculations that an initial step of water oxidation is observed to be associated with the dissociation of water dimers into hydronium and hydroxide ions, in the tunnel of a hydrated α-MnO2 compound with an oxygen vacancy. The former ion is intercalated within the network, while the latter ion occupies the oxygen vacant site and interacts strongly with the Mn atoms. Based on our calculations, the factor responsible for this dissociation of water molecules is observed to be the presence of mixed charge states of Mn atoms in the triangular lattice. Further, the coulombic attraction of a hydronium ion with a water molecule leads to the formation of a Zundel cation in the tunnel, while by dehydrogenating the adsorbed hydroxide ion, the self-healing property of the compound is achieved along with another hydronium ion as a reaction product. These cations can be exchanged with Li(+) ions. Thus, the protonic moieties formed in the tunnel of α-MnO2 leads to niche applications in the field of fuel cells and lithium ion batteries. PMID:27447447

  16. Investigation of water mobility and diffusivity in hydrating micronized low-substituted hydroxypropyl cellulose, hydroxypropylmethyl cellulose, and hydroxypropyl cellulose matrix tablets by magnetic resonance imaging (MRI)

    Energy Technology Data Exchange (ETDEWEB)

    Kojima, Masazumi; Nakagami, Hiroaki [Daiichi Pharmaceutical Co., Tokyo (Japan). Pharmaceutical Technology Research Lab.

    2002-12-01

    The water mobility and diffusivity in the gel-layer of hydrating low-substituted hydroxypropyl cellulose (LH41) tablets with or without a drug were investigated by magnetic resonance imaging (MRI) and compared with those properties in the gel-layer of hydroxypropylmethyl cellulose (HPMC) and hydroxypropyl cellulose (HPC) tablets. For this purpose, a localized image-analysis method was newly developed, and the spin-spin relaxation time (T{sub 2}) and apparent self-diffusion coefficient (ADC) of water in the gel-layer were visualized in one-dimensional maps. Those maps showed that the extent of gel-layer growth in the tablets was in the order of HPC>HPMC>>LH41, and there was a water mobility gradient across the gel-layers of all three tablet formulations. The T{sub 2} and ADC in the outer parts of the gel-layers were close to those of free water. In contrast, these values in the inner parts of the gel-layer decreased progressively; suggesting that the water mobility and diffusivity around the core interface were highly restricted. Furthermore, the correlation between the T{sub 2} of {sup 1}H proton in the gel-layer of the tablets and the drug release rate from the tablets was observed. (author)

  17. Investigation of water mobility and diffusivity in hydrating micronized low-substituted hydroxypropyl cellulose, hydroxypropylmethyl cellulose, and hydroxypropyl cellulose matrix tablets by magnetic resonance imaging (MRI)

    International Nuclear Information System (INIS)

    The water mobility and diffusivity in the gel-layer of hydrating low-substituted hydroxypropyl cellulose (LH41) tablets with or without a drug were investigated by magnetic resonance imaging (MRI) and compared with those properties in the gel-layer of hydroxypropylmethyl cellulose (HPMC) and hydroxypropyl cellulose (HPC) tablets. For this purpose, a localized image-analysis method was newly developed, and the spin-spin relaxation time (T2) and apparent self-diffusion coefficient (ADC) of water in the gel-layer were visualized in one-dimensional maps. Those maps showed that the extent of gel-layer growth in the tablets was in the order of HPC>HPMC>>LH41, and there was a water mobility gradient across the gel-layers of all three tablet formulations. The T2 and ADC in the outer parts of the gel-layers were close to those of free water. In contrast, these values in the inner parts of the gel-layer decreased progressively; suggesting that the water mobility and diffusivity around the core interface were highly restricted. Furthermore, the correlation between the T2 of 1H proton in the gel-layer of the tablets and the drug release rate from the tablets was observed. (author)

  18. Polyethylene oxide hydration in grafted layers

    Science.gov (United States)

    Dormidontova, Elena; Wang, Zilu

    Hydration of water soluble polymers is one of the key-factors defining their conformation and properties, similar to biopolymers. Polyethylene oxide (PEO) is one of the most important biomedical-applications polymers and is known for its reverse temperature solubility due to hydrogen bonding with water. As in many practical applications PEO chains are grafted to surfaces, e.g. of nanoparticles or planar surfaces, it is important to understand PEO hydration in such grafted layers. Using atomistic molecular dynamic simulations we investigate the details of molecular conformation and hydration of PEO end-grafted to gold surfaces. We analyze polymer and water density distribution as a function of distance from the surface for different grafting densities. Based on a detailed analysis of hydrogen bonding between polymer and water in grafted PEO layers, we will discuss the extent of PEO hydration and its implication for polymer conformation, mobility and layer properties. This research is supported by NSF (DMR-1410928).

  19. Hydration of mantle olivine under variable water and oxygen fugacity conditions: a combined SIMS and FTIR study

    Science.gov (United States)

    Gaetani, G. A.; O'Leary, J. A.; Koga, K. T.; Hauri, E. H.; Rose-Koga, E. F.

    2012-12-01

    Trace concentrations of H+ dissolved in peridotite strongly affect both its rheology and solidus. Olivine comprises ~70% of a peridotite mode and is capable of incorporating substantial H+ at upper mantle conditions. Recently, Grant et al. (2007) conducted olivine hydration experiments to determine the influence of oxygen fugacity on H+ incorporation. FTIR analyses of their run products show that absorption bands at 3325 and 3355 cm-1 (Group II bands of Bai and Kohlstedt (1993)) are sensitive to oxygen fugacity and, therefore, likely correspond to Fe3+-bearing point defects. New olivine hydration experiments were conducted to quantify H+ concentration changes associated with these defects. SIMS was used to quantify the H+ concentration and FTIR analyses were used to monitor changes in point defect populations. Our results agree with those of Grant et al. (2007) that Group II absorption bands are sensitive to fO2, but SIMS analyses indicate that changing oxygen fugacity from Fe-Fe1-XO to Ni-NiO at constant P, T and olivine composition only increases the concentration of H+ by ~50%. Olivine hydration experiments were conducted at 1.0, 1.5, or 2.0 GPa and 1200 °C using a piston cylinder device. Oxygen fugacity was controlled at the Fe-Fe1-XO, Fe1-XO-Fe3O4, or Ni-NiO buffer. Mixed H2O-CO2 experiments were used to resolve the influence of P from that of H2O fugacity. Starting materials, fabricated from large single crystals of San Carlos olivine (Fo88-91), were pressure-sealed in either a Fe0 or Ni0 capsule. The H+ concentration of run products were measured using a Cameca 6F ion microprobe and the protocols of Koga et al. (2003). Total infrared absorption spectra were determined by a combined polarized absorption spectra taken at three orthogonal orientation, roughly parallel to crystallographic orientation. Spectra were taken on single crystal olivines shaped as parallelapipeds with several 100s of micron thicknesses. Results from our experiments confirm that H2O

  20. Raman and infrared spectroscopic studies of the structure of water (H2O, HOD, D2O) in stoichiometric crystalline hydrates and in electrolyte solutions

    International Nuclear Information System (INIS)

    The chapter of reviews presents in particular the Badger-Bauer-rule, distance and angle dependence of O-H...Y hydrogen bond and the structure of aqueous electrolyte solutions. A chapter of vibrational spectroscopic investigations of crystalline hydrates - metal perchlorate hydrates follows. Two further chapters just so investigate metal halide hydrates and some sulfate hydrates and related systems. The following chapter describes near infrared spectroscopic investigations of HOD(D2O) and its electrolyte solutions. The concluding chapter contains thermodynamic consequences and some properties of electrolyte solutions from vibrational spectroscopic investigations. (SPI)

  1. Physical activity, hydration and health

    Directory of Open Access Journals (Sweden)

    Ascensión Marcos

    2014-06-01

    Full Text Available Since the beginning of mankind, man has sought ways to promote and preserve health as well as to prevent disease. Hydration, physical activity and exercise are key factors for enhancing human health. However, either a little dose of them or an excess can be harmful for health maintenance at any age. Water is an essential nutrient for human body and a major key to survival has been to prevent dehydration. However, there is still a general controversy regarding the necessary amount to drink water or other beverages to properly get an adequate level of hydration. In addition, up to now the tools used to measure hydration are controversial. To this end, there are several important groups of variables to take into account such as water balance, hydration biomarkers and total body water. A combination of methods will be the most preferred tool to find out any risk or situation of dehydration at any age range. On the other hand, physical activity and exercise are being demonstrated to promote health, avoiding or reducing health problems, vascular and inflammatory diseases and helping weight management. Therefore, physical activity is also being used as a pill within a therapy to promote health and reduce risk diseases, but as in the case of drugs, dose, intensity, frequency, duration and precautions have to be evaluated and taken into account in order to get the maximum effectiveness and success of a treatment. On the other hand, sedentariness is the opposite concept to physical activity that has been recently recognized as an important factor of lifestyle involved in the obesogenic environment and consequently in the risk of the non-communicable diseases. In view of the literature consulted and taking into account the expertise of the authors, in this review a Decalogue of global recommendations is included to achieve an adequate hydration and physical activity status to avoid overweight/obesity consequences.

  2. Methods to determine hydration states of minerals and cement hydrates

    International Nuclear Information System (INIS)

    This paper describes a novel approach to the quantitative investigation of the impact of varying relative humidity (RH) and temperature on the structure and thermodynamic properties of salts and crystalline cement hydrates in different hydration states (i.e. varying molar water contents). The multi-method approach developed here is capable of deriving physico-chemical boundary conditions and the thermodynamic properties of hydrated phases, many of which are currently missing from or insufficiently reported in the literature. As an example the approach was applied to monosulfoaluminate, a phase typically found in hydrated cement pastes. New data on the dehydration and rehydration of monosulfoaluminate are presented. Some of the methods used were validated with the system Na2SO4–H2O and new data related to the absorption of water by anhydrous sodium sulfate are presented. The methodology and data reported here should permit better modeling of the volume stability of cementitious systems exposed to various different climatic conditions

  3. Hydrate bearing clayey sediments: Formation and gas production concepts

    KAUST Repository

    Jang, Jaewon

    2016-06-20

    Hydro-thermo-chemo and mechanically coupled processes determine hydrate morphology and control gas production from hydrate-bearing sediments. Force balance, together with mass and energy conservation analyses anchored in published data provide robust asymptotic solutions that reflect governing processes in hydrate systems. Results demonstrate that hydrate segregation in clayey sediments results in a two-material system whereby hydrate lenses are surrounded by hydrate-free water-saturated clay. Hydrate saturation can reach ≈2% by concentrating the excess dissolved gas in the pore water and ≈20% from metabolizable carbon. Higher hydrate saturations are often found in natural sediments and imply methane transport by advection or diffusion processes. Hydrate dissociation is a strongly endothermic event; the available latent heat in a reservoir can sustain significant hydrate dissociation without triggering ice formation during depressurization. The volume of hydrate expands 2-to-4 times upon dissociation or CO2single bondCH4 replacement. Volume expansion can be controlled to maintain lenses open and to create new open mode discontinuities that favor gas recovery. Pore size is the most critical sediment parameter for hydrate formation and gas recovery and is controlled by the smallest grains in a sediment. Therefore any characterization must carefully consider the amount of fines and their associated mineralogy.

  4. HYDRATION AND ENZYME ACTIVITY

    OpenAIRE

    Poole, P.

    1984-01-01

    Hydration induced conformation and dynamic changes are followed using a variety of experimental techniques applied to hen egg white lysozyme. These changes are completed just before the onset of enzyme activity, which occurs before all polar groups are hydrated, and before monolayer coverage is attained. We suggest that these hydration induced changes are necessary for the return of enzyme activity.

  5. Overview on Hydrate Coring, Handling and Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Jon Burger; Deepak Gupta; Patrick Jacobs; John Shillinglaw

    2003-06-30

    Gas hydrates are crystalline, ice-like compounds of gas and water molecules that are formed under certain thermodynamic conditions. Hydrate deposits occur naturally within ocean sediments just below the sea floor at temperatures and pressures existing below about 500 meters water depth. Gas hydrate is also stable in conjunction with the permafrost in the Arctic. Most marine gas hydrate is formed of microbially generated gas. It binds huge amounts of methane into the sediments. Worldwide, gas hydrate is estimated to hold about 1016 kg of organic carbon in the form of methane (Kvenvolden et al., 1993). Gas hydrate is one of the fossil fuel resources that is yet untapped, but may play a major role in meeting the energy challenge of this century. In June 2002, Westport Technology Center was requested by the Department of Energy (DOE) to prepare a ''Best Practices Manual on Gas Hydrate Coring, Handling and Analysis'' under Award No. DE-FC26-02NT41327. The scope of the task was specifically targeted for coring sediments with hydrates in Alaska, the Gulf of Mexico (GOM) and from the present Ocean Drilling Program (ODP) drillship. The specific subjects under this scope were defined in 3 stages as follows: Stage 1: Collect information on coring sediments with hydrates, core handling, core preservation, sample transportation, analysis of the core, and long term preservation. Stage 2: Provide copies of the first draft to a list of experts and stakeholders designated by DOE. Stage 3: Produce a second draft of the manual with benefit of input from external review for delivery. The manual provides an overview of existing information available in the published literature and reports on coring, analysis, preservation and transport of gas hydrates for laboratory analysis as of June 2003. The manual was delivered as draft version 3 to the DOE Project Manager for distribution in July 2003. This Final Report is provided for records purposes.

  6. Formation rate of natural gas hydrate

    Energy Technology Data Exchange (ETDEWEB)

    Mork, Marit

    2002-07-01

    The rate of methane hydrate and natural gas hydrate formation was measured in a 9.5 litre stirred tank reactor of standard design. The experiments were performed to better understand the performance and scale-up of a reactor for continuous production of natural gas hydrates. The hydrate formation rate was measured at steady-state conditions at pressures between 70 and 90 bar and temperatures between 7 and 15 deg C. Between 44 and 56 % of the gas continuously supplied to the reactor was converted to hydrate. The experimental results show that the rate of hydrate formation is strongly influenced by gas injection rate and pressure. The effect of stirring rate is less significant and subcooling has no observable effect on the formation rate. Hydrate crystal concentration and gas composition do not influence the hydrate formation rate. Observations of produced hydrate crystals indicate that the crystals are elongated, about 5 micron in diameter and 10 micron long. Analysis of the results shows that the rate of hydrate formation is dominated by gas-liquid mass transfer. A mass transfer model, the bubble-to-crystal model, was developed for the hydrate formation rate in a continuous stirred tank reactor, given in terms of concentration driving force and an overall mass transfer coefficient. The driving force is the difference between the gas concentration at the gas-liquid interface and at the hydrate crystal surface. These concentrations correspond to the solubility of gas in water at experimental temperature and pressure and the solubility of gas at hydrate equilibrium temperature and experimental pressure, respectively. The overall mass transfer coefficient is expressed in terms of superficial gas velocity and impeller power consumption, parameters commonly used in study of stirred tank reactors. Experiments and modeling show that the stirred tank reactor has a considerable potential for increased production capacity. However, at higher hydrate production rates the

  7. Hydration states of AFm cement phases

    Energy Technology Data Exchange (ETDEWEB)

    Baquerizo, Luis G., E-mail: luis.baquerizoibarra@holcim.com [Innovation, Holcim Technology Ltd., CH-5113 Holderbank (Switzerland); Matschei, Thomas [Innovation, Holcim Technology Ltd., CH-5113 Holderbank (Switzerland); Scrivener, Karen L. [Laboratory of Construction Materials, Ecole Polytechnique Fédérale de Lausanne, CH-1015 Lausanne (Switzerland); Saeidpour, Mahsa; Wadsö, Lars [Building Materials, Lund University, Box 124, 221 000 Lund (Sweden)

    2015-07-15

    The AFm phase, one of the main products formed during the hydration of Portland and calcium aluminate cement based systems, belongs to the layered double hydrate (LDH) family having positively charged layers and water plus charge-balancing anions in the interlayer. It is known that these phases present different hydration states (i.e. varying water content) depending on the relative humidity (RH), temperature and anion type, which might be linked to volume changes (swelling and shrinkage). Unfortunately the stability conditions of these phases are insufficiently reported. This paper presents novel experimental results on the different hydration states of the most important AFm phases: monocarboaluminate, hemicarboaluminate, strätlingite, hydroxy-AFm and monosulfoaluminate, and the thermodynamic properties associated with changes in their water content during absorption/desorption. This data opens the possibility to model the response of cementitious systems during drying and wetting and to engineer systems more resistant to harsh external conditions.

  8. Gas hydrate inhibition of drilling fluid additives

    Energy Technology Data Exchange (ETDEWEB)

    Xiaolan, L.; Baojiang, S.; Shaoran, R. [China Univ. of Petroleum, Dongying (China). Inst. of Petroleum Engineering

    2008-07-01

    Gas hydrates that form during offshore well drilling can have adverse impacts on well operational safety. The hydrates typically form in the risers and the annulus between the casing and the drillstring, and can stop the circulation of drilling fluids. In this study, experiments were conducted to measure the effect of drilling fluid additives on hydrate inhibition. Polyalcohols, well-stability control agents, lubricating agents, and polymeric materials were investigated in a stirred tank reactor at temperatures ranging from -10 degree C to 60 degrees C. Pressure, temperature, and torque were used to detect onset points of hydrate formation and dissociation. The inhibitive effect of the additives on hydrate formation was quantified. Phase boundary shifts were measured in terms of temperature difference or sub-cooling gained when chemicals were added to pure water. Results showed that the multiple hydroxyl groups in polyalcohol chemicals significantly inhibited hydrate formation. Polymeric and polyacrylamide materials had only a small impact on hydrate formation, while sulfonated methyl tannins were found to increase hydrate formation. 6 refs., 1 tab., 4 figs.

  9. A new geotechnical gas hydrates research laboratory

    Energy Technology Data Exchange (ETDEWEB)

    Grozic, J.L.H. [Calgary Univ., AB (Canada)

    2003-07-01

    Gas hydrates encapsulate natural gas molecules in a very compact form, as ice-like compounds composed of water molecules. Permafrost environments and offshore areas contain vast quantities of gas hydrates within soil and rock. This paper describes the role played by gas hydrates in submarine slope instability, their potential as a sustainable energy source, and their effects on global climate change. A new state-of-the-art laboratory located at the University of Calgary, which was developed to study the geomechanical behaviour of gas hydrate-sediment mixtures, was also presented. A specialized high pressure low temperature triaxial apparatus capable of performing a suite of tests on gas hydrate-sediment mixtures is housed in this laboratory. Extensive renovations were required in order to enable the use of methane gas to simulate natural hydrate formation conditions. The laboratory is specifically designed to examine the properties and behaviour of reconstituted gas hydrate-sediment mixtures and natural gas hydrate core samples. 26 refs., 9 figs.

  10. Combining Multicomponent Seismic Attributes, New Rock Physics Models, and In Situ Data to Estimate Gas-Hydrate Concentrations in Deep-Water, Near-Seafloor Strata of the Gulf of Mexico

    Energy Technology Data Exchange (ETDEWEB)

    Bureau of Economic Geology

    2009-04-30

    The Bureau of Economic Geology was contracted to develop technologies that demonstrate the value of multicomponent seismic technology for evaluating deep-water hydrates across the Green Canyon area of the Gulf of Mexico. This report describes the methodologies that were developed to create compressional (P-P) and converted-shear (P-SV) images of near-seafloor geology from four-component ocean-bottom-cable (4C OBC) seismic data and the procedures used to integrate P-P and P-SV seismic attributes with borehole calibration data to estimate hydrate concentration across two study areas spanning 16 and 25 lease blocks (or 144 and 225 square miles), respectively. Approximately 200 km of two-dimensional 4C OBC profiles were processed and analyzed over the course of the 3-year project. The strategies we developed to image near-seafloor geology with 4C OBC data are unique, and the paper describing our methodology was peer-recognized with a Best Paper Award by the Society of Exploration Geophysicists in the first year of the project (2006). Among the valuable research findings demonstrated in this report, the demonstrated ability to image deep-water near-seafloor geology with sub-meter resolution using a standard-frequency (10-200 Hz) air gun array on the sea surface and 4C sensors on the seafloor has been the accomplishment that has received the most accolades from professional peers. Our study found that hydrate is pervasive across the two study areas that were analyzed but exists at low concentrations. Although our joint inversion technique showed that in some limited areas, and in some geologic units across those small areas, hydrates occupied up to 40-percent of the sediment pore space, we found that when hydrate was present, hydrate concentration tended to occupy only 10-percent to 20-percent of the pore volume. We also found that hydrate concentration tended to be greater near the base of the hydrate stability zone than it was within the central part of the stability

  11. Competitive Oxidation and Hydration During Aqueous Alteration of Asteroids

    Science.gov (United States)

    Zolotov, M. Y.; Mironenko, M. V.; Shock, E. L.

    2005-01-01

    Introduction: Studies of chondrites show that incorporation of H2O ice during formation of asteroids followed by radioactive heating caused partial oxidation and hydration of primary reduced and anhydrous rocks. Oxidation of kamacite, phosphides, troilite and organic polymers occurred through consumption of water s oxygen and release of H2. Hydration caused formation of serpentine, saponite, chlorite, talc and hydrated salts. Since H2O was the major reactant in oxidation and hydration, these processes could have been competitive. Redox reactions in asteroids should have been closely connected to hydration (dehydration) during aqueous alteration and thermal metamorphism. For example, dehydration and reduction release H2O that can be consumed in oxidation and hydration, respectively. We model asteroidal processes in order to quantify the fate of H2O and water s oxygen in major redox and hydration/dehydration reactions. Model: Equilibrium compositions in the gas-solid-liquid

  12. Hydration characteristics of water in radiation polymerized hema-co- ionomeric controlled drug delivery matrices: a DSC study

    International Nuclear Information System (INIS)

    The changes in the bulk (freezable) and bound (non-freezable) water contents of radiation polymerized (2-hydroxy ethyl methacrylate) (PHEMA) containing two different types of ionomers have been studied by differential scanning calorimetry (DSC). It was found that introduction of 5-10% of acrylic acid into PHEMA matrix affects mainly the bulk water content whereas introduction of sodium para styrene sulphonate affects both types of water significantly. (author)

  13. Kinetic of formation for single carbon dioxide and mixed carbon dioxide and tetrahydrofuran hydrates in water and sodium chloride aqueous solution

    NARCIS (Netherlands)

    Sabil, K.M.; Duarte, A.R.C.; Zevenbergen, J.F.; Ahmad, M.M.; Yusup, S.; Omar, A.A.; Peters, C.J.

    2010-01-01

    A laboratory-scale reactor system is built and operated to measure the kinetic of formation for single and mixed carbon dioxide-tetrahydrofuran hydrates. The T-cycle method, which is used to collect the kinetic data, is briefly discussed. For single carbon dioxide hydrate, the induction time decreas

  14. China's Research on Non-conventional Energy Resources- Gas Hydrate

    Institute of Scientific and Technical Information of China (English)

    Pu Ming; Ma Jianguo

    2002-01-01

    @@ Methane exists in ice-like formations called gas hydrate. Hydrate traps methane molecules inside a cage of frozen water. The magnitude of this previously unknown global storehouse of methane is truly staggering and has raised serious inquiry into the possibility of using methane hydrate as a substitute source of energy for oil and conventional natural gas. According to the estimation by PGC, gas hydrate deposits amount to 7.6 × 1018m3 and contain more than twice as much organic carbon as all the world's coal, oil and non-hydrate natural gas combined.

  15. Electrical properties of methane hydrate + sediment mixtures

    Science.gov (United States)

    Du Frane, Wyatt L.; Stern, Laura A.; Weitemeyer, Karen A.; Constable, Steven; Roberts, Jeffery J.

    2011-01-01

    As part of our DOE-funded proposal to characterize gas hydrate in the Gulf of Mexico using marine electromagnetic methods, a collaboration between SIO, LLNL, and USGS with the goal of measuring the electrical properties of lab-created methane (CH4) hydrate and sediment mixtures was formed. We examined samples with known characteristics to better relate electrical properties measured in the field to specific gas hydrate concentration and distribution patterns. Here we discuss first-ever electrical conductivity (σ) measurements on unmixed CH4 hydrate (Du Frane et al., 2011): 6 x 10-5 S/m at 5 °C, which is ~5 orders of magnitude lower than seawater. This difference allows electromagnetic (EM) techniques to distinguish highly resistive gas hydrate deposits from conductive water saturated sediments in EM field surveys. More recently, we performed measurements on CH4 hydrate mixed with sediment and we also discuss those initial findings here. Our results on samples free of liquid water are important for predicting conductivity of sediments with pores highly saturated with gas hydrate, and are an essential starting point for comprehensive mixing models.

  16. Hydration structure and dynamics of a hydroxide ion in water clusters of varying size and temperature: Quantum chemical and ab initio molecular dynamics studies

    International Nuclear Information System (INIS)

    Highlights: ► A theoretical study of hydroxide ion-water clusters is carried for varying cluster size and temperature. ► The structures of OH−(H2O)n are found out through quantum chemical calculations for n = 4, 8, 16 and 20. ► The finite temperature behavior of the clusters is studied through ab initio dynamical simulations. ► The spectral features of OH modes (deuterated) and their dependence on hydrogen bonding states of water are discussed. ► The mechanism and kinetics of proton transfer processes in these anionic clusters are also investigated. - Abstract: We have investigated the hydration structure and dynamics of OH−(H2O)n clusters (n = 4, 8, 16 and 20) by means of quantum chemical and ab initio molecular dynamics calculations. Quantum chemical calculations reveal that the solvation structure of the hydroxide ion transforms from three and four-coordinated surface states to five-coordinated interior state with increase in cluster size. Several other isomeric structures with energies not very different from the most stable isomer are also found. Ab initio simulations show that the most probable configurations at higher temperatures need not be the lowest energy isomeric structure. The rates of proton transfer in these clusters are found to be slower than that in bulk water. The vibrational spectral calculations reveal distinct features for free OH (deuterated) stretch modes of water in different hydrogen bonding states. Effects of temperature on the structural and dynamical properties are also investigated for the largest cluster considered here.

  17. Distribution of Hydrate Inhibitors in Processing of Gas-Condensate

    OpenAIRE

    Jonassen, Anette Hartveit

    2013-01-01

    The formation of gas hydrates have been known to cause serious problems with blockages in natural gas pipelines, wellbore and natural gas processing units. The offshore sector of the North Sea comes into focus owing to factors such as low temperature, high pressure because of deep water fields, great depth of the subsea environment and remote locations that are factors underlying the increased hydrate formation. Hydrates are formed in multiphase transport comprising gas, condensate and water....

  18. Compressive Strength and Hydration Process of Self Compacting Concrete (SCC) mixed with Sea Water, Marine Sand and Portland Composite Cement

    OpenAIRE

    Tjaronge, M.Wihardi

    2013-01-01

    As the world's largest archipelagic state, Indonesia consists with more than 18,000 islands and over 7.9 million square kilometres of sea. This present study is a part of research work to accelerate the sustainable infrastructure development in distant islands in addressing the lack of infrastructure and environment issues. The utilization of sea water and marine sand can reduce the consumption of fresh water and river sand, therefore decrease the price of concrete work in the low land area...

  19. A method of harvesting gas hydrates from marine sediments

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, H.Q.; Brill, J.P.; Sarica, C. [Tulsa Univ., Tulsa, OK (United States). Dept. of Petroleum Engineering

    2008-07-01

    Methane is known to exist in gas hydrates, but low productivity is expected for gas production from gas hydrates in marine sediments because of the shallow depths, low hydrate concentration, low permeability of the gas hydrate stability zone, lack of driving pressure and the slow melting process. This paper presented a newly developed methane harvesting method which aims to overcome technical barriers, maintain cost and energy efficiencies and minimize safety and environmental concerns. The method is based on the concept of capturing the gas released from hydrate dissociation in the sediments. The captured gases can reform hydrates inside and overhead receiver, which once full, can be lifted to shallow warm water for gas collection. This simple and open production system does not require high pressure and does not involve any flow assurance issues. As such, technical difficulties, safety issues and environmental concerns are minimized. The proposed gas harvesting method makes the best use of the nature of hydrates and the subsea pressure and temperature profiles. It combines many new concepts, including electrically adding heat inside the hydrate rich sediments to release gas, using an overhead receiver to capture the gas, allowing the gas to reform hydrates again in the overhead receiver, and lifting produced hydrates to warm water where it can be released and collected. It was concluded that this newly proposed production system enables the development of massive hydrate production fields on the sea bed with high production rates that are economically viable. 4 refs., 7 figs.

  20. Physical properties of gas hydrates

    Energy Technology Data Exchange (ETDEWEB)

    Kliner, J.T.R.; Grozic, J.L.H. [Calgary Univ., AB (Canada)

    2003-07-01

    Gas hydrates are naturally occurring, solid crystalline compounds (clathrates) that encapsulate gas molecules inside the lattices of hydrogen bonded water molecules within a specific temperature-pressure stability zone. Estimates of the total quantity of available methane gas in natural occurring hydrates are based on twice the energy content of known conventional fossil fuels reservoirs. Accurate and reliable in-situ quantification techniques are essential in determining the economic viability of this potential energy yield, which is dependent upon several factors such as sensitivity of the temperature-pressure stability zone, sediment type, porosity, permeability, concentration/abundance of free gas, spatial distribution in pore spaces, specific cage occupancy, and the influence of inhibitors. Various techniques like acoustic P and S waves, time domain reflectometry, and electrical resistance have been used to analyze the quantity and spatial distribution of the gas hydrate samples. These techniques were reviewed and the results obtained in the course of gas hydrate research were presented. 34 refs., 8 figs.

  1. EXPERIMENTAL INVESTIGATION ON GAS HYDRATE FORMATION IN PRESENCE OF ADDITIVE COMPONENTS

    Institute of Scientific and Technical Information of China (English)

    SUN Zhigao; FAN Shuanshi; GUO Kaihua

    2003-01-01

    Additives were used to increase gas hydrate formation rate and storage capacity. Experimental tests of methane hydrate formation were carried out in surfactant water solutions in a high-pressure cell.Sodium dodecyl sulfate (SDS) and alkyl polysaccharide glycoside (APG) were used to increase hydrate formation. The effect of SDS on hydrate formation is more pronounced compared APG. Cyclopentane (CP) also improves hydrate formation rates while it cannot increase methane gas storage capacity.

  2. Structure and stability of phospholipid bilayers hydrated by a room-temperature ionic liquid/water solution: a neutron reflectometry study.

    Science.gov (United States)

    Benedetto, Antonio; Heinrich, Frank; Gonzalez, Miguel A; Fragneto, Giovanna; Watkins, Erik; Ballone, Pietro

    2014-10-23

    Neutron reflectometry (NR) measurements were carried out to probe the structure and stability of two model biomembranes consisting of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) and 1,2-dimyristoyl-sn-glycero-3-phosphatidylcholine (DMPC) phospholipid bilayers hydrated by water solutions of two prototypical room-temperature ionic liquids (RTILs), namely, 1-butyl-3-methyl-imidazolium chloride ([bmim][Cl]) and choline chloride ([Chol][Cl]) at concentrations of 0.1 M and 0.5 M, respectively. The raw data were analyzed by fitting a distribution of scattering length densities arising from the different chemical species in the system. The results of this analysis show that (a) for all systems and concentrations that we considered, the thickness of the bilayers shrinks by ∼1 Å upon dissolving the ionic liquid into water and that (b) the RTIL ions enter the bilayer, finding their way to a preferred location in the lipid range that is nearly independent of the lipid and of the [bimim](+) or [Chol](+) choice. The volume fraction of RTIL sorbed in/on the bilayer, however, does depend on the lipid, but, again, is the same for [bmim][Cl] and for [Chol][Cl]. Thus, the RTIL occupies ∼5% of the bilayer volume in POPC, rising to ∼10% in DMPC. Repeating the measurements and data analysis after rinsing in pure water shows that the changes in the bilayer due to the RTIL sorption are irreversible and that a measurable amount of IL remains in the lipid fraction, that is, ∼2.5% of the bilayer volume in POPC and ∼8% in DMPC. PMID:25251987

  3. 消石灰对沥青混合料的抗水性能分析%The Effect of Hydrated Lime on Water Resistant Properties of Asphalt Mixture

    Institute of Scientific and Technical Information of China (English)

    李伟杰

    2011-01-01

    From the theosefical analysis of the performances of asphalt mixture,it is shown that adding lime hydrate can improve its water resistance,and enhances the bond strength between asphalt and aggregate. Meanwhile,the amount of hydrated lime and the amount of asphalt are discassed. The optimal amount of hydrated lime is 1% to 2% ,and it should not be used too much. In addition,if hydrated lime is increased, the asphalt must have a corresponding increase.%根据消石灰改善沥青混合料的性能,分析了消石灰的用量对沥青混合料抵抗水损害的影响以及消石灰的用量与沥青用量之间的关系.通过试验对比证明消石灰的加入可以改善沥青混合料的抗水性能,提高沥青与集料间的粘结强度.消石灰的掺入量在1%~2%之间为宜,消石灰的加入,还须增加相应的沥青用量,提高油石比.

  4. Methane Hydrate Field Program

    Energy Technology Data Exchange (ETDEWEB)

    None

    2013-12-31

    This final report document summarizes the activities undertaken and the output from three primary deliverables generated during this project. This fifteen month effort comprised numerous key steps including the creation of an international methane hydrate science team, determining and reporting the current state of marine methane hydrate research, convening an international workshop to collect the ideas needed to write a comprehensive Marine Methane Hydrate Field Research Plan and the development and publication of that plan. The following documents represent the primary deliverables of this project and are discussed in summary level detail in this final report. • Historical Methane Hydrate Project Review Report • Methane Hydrate Workshop Report • Topical Report: Marine Methane Hydrate Field Research Plan • Final Scientific/Technical Report

  5. Reactivity of Hydrated Electron in Finite Size System: Sodium Pickup on Mixed N2O–Water Nanoparticles

    Czech Academy of Sciences Publication Activity Database

    Šmídová, Daniela; Lengyel, Jozef; Pysanenko, Andriy; Med, J.; Slavíček, P.; Fárník, Michal

    2015-01-01

    Roč. 6, č. 15 (2015), s. 2865-2869. ISSN 1948-7185 R&D Projects: GA ČR GA14-08937S Institutional support: RVO:61388955 Keywords : solvated electron * water clusters * fragmentation-free mass spectrometry Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 7.458, year: 2014

  6. Aquaporins are critical for provision of water during lactation and intrauterine progeny hydration to maintain tsetse fly reproductive success.

    Directory of Open Access Journals (Sweden)

    Joshua B Benoit

    2014-04-01

    Full Text Available Tsetse flies undergo drastic fluctuations in their water content throughout their adult life history due to events such as blood feeding, dehydration and lactation, an essential feature of the viviparous reproductive biology of tsetse. Aquaporins (AQPs are transmembrane proteins that allow water and other solutes to permeate through cellular membranes. Here we identify tsetse aquaporin (AQP genes, examine their expression patterns under different physiological conditions (blood feeding, lactation and stress response and perform functional analysis of three specific genes utilizing RNA interference (RNAi gene silencing. Ten putative aquaporins were identified in the Glossina morsitans morsitans (Gmm genome, two more than has been previously documented in any other insect. All organs, tissues, and body parts examined had distinct AQP expression patterns. Two AQP genes, gmmdripa and gmmdripb ( = gmmaqp1a and gmmaqp1b are highly expressed in the milk gland/fat body tissues. The whole-body transcript levels of these two genes vary over the course of pregnancy. A set of three AQPs (gmmaqp5, gmmaqp2a, and gmmaqp4b are expressed highly in the Malpighian tubules. Knockdown of gmmdripa and gmmdripb reduced the efficiency of water loss following a blood meal, increased dehydration tolerance and reduced heat tolerance of adult females. Knockdown of gmmdripa extended pregnancy length, and gmmdripb knockdown resulted in extended pregnancy duration and reduced progeny production. We found that knockdown of AQPs increased tsetse milk osmolality and reduced the water content in developing larva. Combined knockdown of gmmdripa, gmmdripb and gmmaqp5 extended pregnancy by 4-6 d, reduced pupal production by nearly 50%, increased milk osmolality by 20-25% and led to dehydration of feeding larvae. Based on these results, we conclude that gmmDripA and gmmDripB are critical for diuresis, stress tolerance and intrauterine lactation through the regulation of water and

  7. Gas hydrate nucleation

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-12-31

    The overall aim of the project was to gain more knowledge about the kinetics of gas hydrate formation especially the early growth phase. Knowledge of kinetics of gas hydrate formation is important and measurements of gas hydrate particle size and concentration can contribute to improve this knowledge. An experimental setup for carrying out experimental studies of the nucleation and growth of gas hydrates has been constructed and tested. Multi wavelength extinction (MWE) was the experimental technique selected for obtaining particle diameter and concentration. The principle behind MWE is described as well as turbidity spectrum analysis that in an initial stage of the project was considered as an alternative experimental technique. Details of the experimental setup and its operation are outlined. The measuring cell consists of a 1 litre horizontal tube sustaining pressures up to 200 bar. Laser light for particle size determination can be applied through sapphire windows. A description of the various auxiliary equipment and of another gas hydrate cell used in the study are given. A computer program for simulation and analysis of gas hydrate experiments is based on the gas hydrate kinetics model proposed by Skovborg and Rasmussen (1993). Initial measurements showed that knowledge of the refractive index of gas hydrates was important in order to use MWE. An experimental determination of the refractive index of methane and natural gas hydrate is described. The test experiments performed with MWE on collectives of gas hydrate particles and experiments with ethane, methane and natural gas hydrate are discussed. Gas hydrate particles initially seem to grow mainly in size and at latter stages in number. (EG) EFP-94; 41 refs.

  8. Tracking all-vapor instant gas-hydrate formation and guest molecule populations: A possible probe for molecules trapped in water nanodroplets

    Czech Academy of Sciences Publication Activity Database

    Uras-Aytemiz, N.; Cwiklik, Lukasz; Devlin, J. P.

    2012-01-01

    Roč. 137, č. 20 (2012), s. 204501. ISSN 0021-9606 Institutional support: RVO:61388955 Keywords : Fourier transform infrared emission spectra * clathrate hydrate * simulations Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.164, year: 2012

  9. Methane Recovery from Hydrate-bearing Sediments

    Energy Technology Data Exchange (ETDEWEB)

    J. Carlos Santamarina; Costas Tsouris

    2011-04-30

    Gas hydrates are crystalline compounds made of gas and water molecules. Methane hydrates are found in marine sediments and permafrost regions; extensive amounts of methane are trapped in the form of hydrates. Methane hydrate can be an energy resource, contribute to global warming, or cause seafloor instability. This study placed emphasis on gas recovery from hydrate bearing sediments and related phenomena. The unique behavior of hydrate-bearing sediments required the development of special research tools, including new numerical algorithms (tube- and pore-network models) and experimental devices (high pressure chambers and micromodels). Therefore, the research methodology combined experimental studies, particle-scale numerical simulations, and macro-scale analyses of coupled processes. Research conducted as part of this project started with hydrate formation in sediment pores and extended to production methods and emergent phenomena. In particular, the scope of the work addressed: (1) hydrate formation and growth in pores, the assessment of formation rate, tensile/adhesive strength and their impact on sediment-scale properties, including volume change during hydrate formation and dissociation; (2) the effect of physical properties such as gas solubility, salinity, pore size, and mixed gas conditions on hydrate formation and dissociation, and it implications such as oscillatory transient hydrate formation, dissolution within the hydrate stability field, initial hydrate lens formation, and phase boundary changes in real field situations; (3) fluid conductivity in relation to pore size distribution and spatial correlation and the emergence of phenomena such as flow focusing; (4) mixed fluid flow, with special emphasis on differences between invading gas and nucleating gas, implications on relative gas conductivity for reservoir simulations, and gas recovery efficiency; (5) identification of advantages and limitations in different gas production strategies with

  10. Mesoscale texture of cement hydrates.

    Science.gov (United States)

    Ioannidou, Katerina; Krakowiak, Konrad J; Bauchy, Mathieu; Hoover, Christian G; Masoero, Enrico; Yip, Sidney; Ulm, Franz-Josef; Levitz, Pierre; Pellenq, Roland J-M; Del Gado, Emanuela

    2016-02-23

    Strength and other mechanical properties of cement and concrete rely upon the formation of calcium-silicate-hydrates (C-S-H) during cement hydration. Controlling structure and properties of the C-S-H phase is a challenge, due to the complexity of this hydration product and of the mechanisms that drive its precipitation from the ionic solution upon dissolution of cement grains in water. Departing from traditional models mostly focused on length scales above the micrometer, recent research addressed the molecular structure of C-S-H. However, small-angle neutron scattering, electron-microscopy imaging, and nanoindentation experiments suggest that its mesoscale organization, extending over hundreds of nanometers, may be more important. Here we unveil the C-S-H mesoscale texture, a crucial step to connect the fundamental scales to the macroscale of engineering properties. We use simulations that combine information of the nanoscale building units of C-S-H and their effective interactions, obtained from atomistic simulations and experiments, into a statistical physics framework for aggregating nanoparticles. We compute small-angle scattering intensities, pore size distributions, specific surface area, local densities, indentation modulus, and hardness of the material, providing quantitative understanding of different experimental investigations. Our results provide insight into how the heterogeneities developed during the early stages of hydration persist in the structure of C-S-H and impact the mechanical performance of the hardened cement paste. Unraveling such links in cement hydrates can be groundbreaking and controlling them can be the key to smarter mix designs of cementitious materials. PMID:26858450

  11. Influence of DNA on Ag(I)-C-Phycocyanin complexes

    CERN Document Server

    Gelagutashvili, E; Kuchava, N; Bagdavadze, N

    2008-01-01

    The effects of DNA on the fluorescence of silver phycocyanin complexes were investigated. It was shown, that the fluorescence intensity of phycocyanin decreases, when silver ions are added but the following DNA addition gives rise to fluorescence buildup. Fluorescence spectroscopy provides insight of silver phycocyanin interactions. Fluorescence measurements demostrate phycocyanin quenching of silver emission intensities. SternVolmer quenching constant was obtained from the linear quenching plot. Blue shifts in the fluorescence spectra were observed during silver binding to phycocyanin.

  12. Kinetics of phycocyanobilin cleavage from C-phycocyanin by methanolysis

    DEFF Research Database (Denmark)

    Malwade, Chandrakant Ramkrishna; Roda Serrat, Maria Cinta; Christensen, Knud Villy;

    2016-01-01

    phycobiliproteins present in the extract of Arthrospira platensis by methanolysis is investigated. Different initial concentrations (25 mg/mL, 10 mg/mL, and 5 mg/mL) of proteins are used in order to investigate the effect of protein aggregation on process yield. A kinetic model is developed by fitting the...

  13. Influence of DNA on Ag(I)-C-Phycocyanin complexes

    OpenAIRE

    Gelagutashvili, E.; Ginturi, E.; Kuchava, N.; Bagdavadze, N.

    2008-01-01

    The effects of DNA on the fluorescence of silver phycocyanin complexes were investigated. It was shown, that the fluorescence intensity of phycocyanin decreases, when silver ions are added but the following DNA addition gives rise to fluorescence buildup. Fluorescence spectroscopy provides insight of silver phycocyanin interactions. Fluorescence measurements demostrate phycocyanin quenching of silver emission intensities. SternVolmer quenching constant was obtained from the linear quenching p...

  14. Methane Hydrate Formation and Dissocation in a Partially Saturated Sand--Measurements and Observations

    Energy Technology Data Exchange (ETDEWEB)

    Kneafsey, Timothy J.; Tomutsa, Liviu; Moridis, George J.; Seol, Yongkoo; Freifeld, Barry; Taylor, Charles E.; Gupta, Arvind

    2005-03-01

    We performed a sequence of tests on a partially water-saturated sand sample contained in an x-ray transparent aluminum pressure vessel that is conducive to x-ray computed tomography (CT) observation. These tests were performed to gather data for estimation of thermal properties of the sand/water/gas system and the sand/hydrate/water/gas systems, as well as data to evaluate the kinetic nature of hydrate dissociation. The tests included mild thermal perturbations for the estimation of the thermal properties of the sand/water/gas system, hydrate formation, thermal perturbations with hydrate in the stability zone, hydrate dissociation through thermal stimulation, additional hydrate formation, and hydrate dissociation through depressurization with thermal stimulation. Density changes throughout the sample were observed as a result of hydrate formation and dissociation, and these processes induced capillary pressure changes that altered local water saturation.

  15. Dynamics and Structure of Hydration Water on Rutile and Cassiterite Nanopowders Studied by Quasielastic Neutron Scattering and Molecular Dynamics Simulations

    Czech Academy of Sciences Publication Activity Database

    Mamontov, E.; Vlček, Lukáš; Wesolowski, D.J.; Cummings, P.T.; Wang, W.; Anovitz, L. M.; Rosenqvist, J.; Brown, C.M.; Garcia Sakai, V.

    2007-01-01

    Roč. 111, č. 11 (2007), s. 4328-4341. ISSN 1932-7447 Grant ostatní: NSFA(US) DMR-0454672; LLC(US) DE-AC05-00OR22725 Institutional research plan: CEZ:AV0Z40720504 Source of funding: N - neverejné zdroje ; N - neverejné zdroje Keywords : metal oxide * water * qens Subject RIV: CF - Physical ; Theoretical Chemistry

  16. Critical pressure and multiphase flow in Blake Ridge gas hydrates

    Science.gov (United States)

    Flemings, P.B.; Liu, Xiuying; Winters, W.J.

    2003-01-01

    We use core porosity, consolidation experiments, pressure core sampler data, and capillary pressure measurements to predict water pressures that are 70% of the lithostatic stress, and gas pressures that equal the lithostatic stress beneath the methane hydrate layer at Ocean Drilling Program Site 997, Blake Ridge, offshore North Carolina. A 29-m-thick interconnected free-gas column is trapped beneath the low-permeability hydrate layer. We propose that lithostatic gas pressure is dilating fractures and gas is migrating through the methane hydrate layer. Overpressured gas and water within methane hydrate reservoirs limit the amount of free gas trapped and may rapidly export methane to the seafloor.

  17. Glass powder blended cement hydration modelling

    Science.gov (United States)

    Saeed, Huda

    The use of waste materials in construction is among the most attractive options to consume these materials without affecting the environment. Glass is among these types of potential waste materials. In this research, waste glass in powder form, i.e. glass powder (GP) is examined for potential use in enhancing the characteristics of concrete on the basis that it is a pozzolanic material. The experimental and the theoretical components of the work are carried out primarily to prove that glass powder belongs to the "family" of the pozzolanic materials. The chemical and physical properties of the hydrated activated glass powder and the hydrated glass powder cement on the microstructure level have been studied experimentally and theoretically. The work presented in this thesis consists of two main phases. The first phase contains experimental investigations of the reaction of glass powder with calcium hydroxide (CH) and water. In addition, it includes experiments that are aimed at determining the consumption of water and CH with time. The reactivity, degree of hydration, and nature of the pore solution of the glass powder-blended cement pastes and the effect of adding different ratios of glass powder on cement hydration is also investigated. The experiments proved that glass powder has a pozzolanic effect on cement hydration; hence it enhances the chemical and physical properties of cement paste. Based on the experimental test results, it is recommended to use a glass powder-to-cement ratio (GP/C) of 10% as an optimum ratio to achieve the best hydration and best properties of the paste. Two different chemical formulas for the produced GP C-S-H gel due to the pure GP and GP-CH pozzolanic reaction hydration are proposed. For the pure GP hydration, the produced GP C-S-H gel has a calcium-to-silica ratio (C/S) of 0.164, water-to-silica ratio (H/S) of 1.3 and sodium/silica ratio (N/S) of 0.18. However, for the GP-CH hydration, the produced GP C-S-H gel has a C/S ratio of 1

  18. Thermal Stability and Proton Conductivity of Rare Earth Orthophosphate Hydrates

    DEFF Research Database (Denmark)

    Anfimova, Tatiana; Li, Qingfeng; Jensen, Jens Oluf;

    2014-01-01

    long as the rhabdophane structure is preserved. The bound hydrate water is accommodated in the rhabdophane structure and is stable at temperatures of up to 650 oC. The thermal stability of the hydrate water and the phosphate structure are of significance for the proton conductivity. The LaPO4·0.6H2O......Hydrated orthophosphate powders of three rare earth metals, lanthanum, neodymium and gadolinium, were prepared and studied as potential proton conducting materials for intermediate temperature electrochemical applications. The phosphates undergo a transformation from the rhabdophane structure to...... the monazite structure upon dehydration. The thermal stability of the hydrate is studied and found to contain water of two types, physically adsorbed and structurally bound hydrate water. The adsorbed water is correlated to the specific surface area and can be reversibly recovered when dehydrated as...

  19. Recent advances in development of water window soft x-ray microscope for imaging hydrated cellular organelles

    International Nuclear Information System (INIS)

    We have developed a hybrid soft x-ray microscopy system combined a water window soft x-ray microscope using a laser plasma soft x-ray source and a fluorescence microscope to identify the cellular organelles in the soft x-ray images. The nydrated biological cells are stained with fluorescent dyes which connect to specific cellular organelles, fluorescent images are taken right before taking a soft x-ray image. By directly comparing between the fluorescent images and the soft x-ray image, we are able to identify the organelles shown in the soft x-ray image. (author)

  20. Phase Transition of Methane Gas Hydrate and Response of Marine Gas Hydrate Systems to Environmental Changes

    Science.gov (United States)

    Xu, W.

    2003-12-01

    Gas hydrates, which contain mostly methane as the gas component in marine sediment, are stable under relatively high pressure and low temperature conditions such as those found along continental margins and permafrost regions. Its stability is mostly controlled by in-situ pressure, temperature and salinity of pore fluid. Environmentally introduced changes in pressure and temperature can affect the stability of gas hydrate in marine sediment. While certain changes may enhance the process of gas hydrate formation, we are much more interested in the resultant dissociation processes, which may contribute to sub-marine slope instability, seafloor sediment failure, formation of mud volcanoes and pock marks, potential vulnerability of engineering structures, and the risk to drilling and production. We have been developing models to quantify phase transition processes of marine gas hydrates and to investigate the response of marine gas hydrate systems to environmental changes. Methane gas hydrate system is considered as a three-component (water, methane, salt) four-phase (liquid, gas, hydrate, halite) system. Pressure, temperature and salinity of pore fluid constrain the stability of gas hydrate and affect phase transition processes via their effects on methane solubility and fluid density and enthalpy. Compared to the great quantity of studies on its stability in the literature, in-depth research on phase transition of gas hydrate is surprisingly much less. A method, which employs pressure, enthalpy, salinity and methane content as independent variables, is developed to calculate phase transition processes of the three-component four-phase system. Temperature, an intensive thermodynamic parameter, is found not sufficient in describing phase transition of gas hydrate. The extensive thermodynamic parameter enthalpy, on the other hand, is found to be sufficient both in calculation of the phase transition processes and in modeling marine gas hydrate systems. Processes

  1. Methane hydrate stability and anthropogenic climate change

    Directory of Open Access Journals (Sweden)

    D. Archer

    2007-04-01

    Full Text Available Methane frozen into hydrate makes up a large reservoir of potentially volatile carbon below the sea floor and associated with permafrost soils. This reservoir intuitively seems precarious, because hydrate ice floats in water, and melts at Earth surface conditions. The hydrate reservoir is so large that if 10% of the methane were released to the atmosphere within a few years, it would have an impact on the Earth's radiation budget equivalent to a factor of 10 increase in atmospheric CO2.

    Hydrates are releasing methane to the atmosphere today in response to anthropogenic warming, for example along the Arctic coastline of Siberia. However most of the hydrates are located at depths in soils and ocean sediments where anthropogenic warming and any possible methane release will take place over time scales of millennia. Individual catastrophic releases like landslides and pockmark explosions are too small to reach a sizable fraction of the hydrates. The carbon isotopic excursion at the end of the Paleocene has been interpreted as the release of thousands of Gton C, possibly from hydrates, but the time scale of the release appears to have been thousands of years, chronic rather than catastrophic.

    The potential climate impact in the coming century from hydrate methane release is speculative but could be comparable to climate feedbacks from the terrestrial biosphere and from peat, significant but not catastrophic. On geologic timescales, it is conceivable that hydrates could release much carbon to the atmosphere/ocean system as we do by fossil fuel combustion.

  2. Methane hydrate stability and anthropogenic climate change

    Directory of Open Access Journals (Sweden)

    D. Archer

    2007-07-01

    Full Text Available Methane frozen into hydrate makes up a large reservoir of potentially volatile carbon below the sea floor and associated with permafrost soils. This reservoir intuitively seems precarious, because hydrate ice floats in water, and melts at Earth surface conditions. The hydrate reservoir is so large that if 10% of the methane were released to the atmosphere within a few years, it would have an impact on the Earth's radiation budget equivalent to a factor of 10 increase in atmospheric CO2.

    Hydrates are releasing methane to the atmosphere today in response to anthropogenic warming, for example along the Arctic coastline of Siberia. However most of the hydrates are located at depths in soils and ocean sediments where anthropogenic warming and any possible methane release will take place over time scales of millennia. Individual catastrophic releases like landslides and pockmark explosions are too small to reach a sizable fraction of the hydrates. The carbon isotopic excursion at the end of the Paleocene has been interpreted as the release of thousands of Gton C, possibly from hydrates, but the time scale of the release appears to have been thousands of years, chronic rather than catastrophic.

    The potential climate impact in the coming century from hydrate methane release is speculative but could be comparable to climate feedbacks from the terrestrial biosphere and from peat, significant but not catastrophic. On geologic timescales, it is conceivable that hydrates could release as much carbon to the atmosphere/ocean system as we do by fossil fuel combustion.

  3. Rapid and highly selective removal of lead from water using graphene oxide-hydrated manganese oxide nanocomposites.

    Science.gov (United States)

    Wan, Shunli; He, Feng; Wu, Jiayu; Wan, Wubo; Gu, Yawei; Gao, Bin

    2016-08-15

    To overcome the limits of graphene oxide (GO) as a novel sorbent for heavy metal removal (e.g., low sorption selectivity and difficulty in solid-liquid separation), a nanocomposite (HMO@GO) with excellent settling ability (oxide (HMO) (10.8±4.1nm) on GO. As a graphene-based adsorbent, HMO@GO exhibited fast sorption kinetics (500mgg(-1)) in the presence of high-level competing Ca(II). Cyclic sorption batches showed that 1kg HMO@GO can treat at least 22m(3) Pb(II)-laden synthetic industrial drainage (5mgL(-1) Pb(II)) and 40m(3) drinking water (0.5mgL(-1) Pb(II)) to their corresponding limits (0.1mgL(-1) for wastewater and 10μgL(-1) for drinking water) enforced in China. Additionally, the exhausted HMO@GO can be effectively regenerated using 0.3 M HCl for repeated uses. The eminent performance of HMO@GO was attributed to its specific structure, that is, the abundant oxygen-containing groups on GO mediated the growth of highly dispersed HMO that preferably sequestrated Pb(II) through specific interaction, and the host GO offered the preconcentration of Pb(II) for enhanced sequestration through the Donnan membrane effect. PMID:27107233

  4. Micromechanical cohesion force measurements to determine cyclopentane hydrate interfacial properties.

    Science.gov (United States)

    Aman, Zachary M; Joshi, Sanjeev E; Sloan, E Dendy; Sum, Amadeu K; Koh, Carolyn A

    2012-06-15

    Hydrate aggregation and deposition are critical factors in determining where and when hydrates may plug a deepwater flowline. We present the first direct measurement of structure II (cyclopentane) hydrate cohesive forces in the water, liquid hydrocarbon and gas bulk phases. For fully annealed hydrate particles, gas phase cohesive forces were approximately twice that obtained in a liquid hydrocarbon phase, and approximately six times that obtained in the water phase. Direct measurements show that hydrate cohesion force in a water-continuous bulk may be only the product of solid-solid cohesion. When excess water was present on the hydrate surface, gas phase cohesive forces increased by a factor of three, suggesting the importance of the liquid or quasi-liquid layer (QLL) in determining cohesive force. Hydrate-steel adhesion force measurements show that, when the steel surface is coated with hydrophobic wax, forces decrease up to 96%. As the micromechanical force technique is uniquely capable of measuring hydrate-surface forces with variable contact time, the present work contains significant implications for hydrate applications in flow assurance. PMID:22484169

  5. Octa-coordination and the hydrated Ba2+(aq) ion

    CERN Document Server

    Chaudhari, Mangesh I; Rempe, Susan B

    2014-01-01

    The hydration structure of Ba^{2+} ion is important for understanding blocking mechanisms in potassium ion channels. Here, we combine statistical mechanical theory, ab initio molecular dynamics simulations, and electronic structure methods to calculate the hydration free energy and local hydration structure of Ba^{2+}(aq). The predicted hydration free energy (-302.9$\\pm$0.7 kcal/mol) matches the experimental value (-302.56 kcal/mol) when the fully occupied and exclusive inner solvation shell is treated. In the local environment defined by the inner and first shell of hydrating waters, Ba^{2+} is directly coordinated by eight (8) waters. Octa-coordination resembles the structure of Ba^{2+} and K^+ bound in potassium ion channels, but differs from the local hydration structure of K^+(aq) determined earlier.

  6. Development of Alaskan gas hydrate resources. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Kamath, V.A.; Sharma, G.D.; Patil, S.L.

    1991-06-01

    The research undertaken in this project pertains to study of various techniques for production of natural gas from Alaskan gas hydrates such as, depressurization, injection of hot water, steam, brine, methanol and ethylene glycol solutions through experimental investigation of decomposition characteristics of hydrate cores. An experimental study has been conducted to measure the effective gas permeability changes as hydrates form in the sandpack and the results have been used to determine the reduction in the effective gas permeability of the sandpack as a function of hydrate saturation. A user friendly, interactive, menu-driven, numerical difference simulator has been developed to model the dissociation of natural gas hydrates in porous media with variable thermal properties. A numerical, finite element simulator has been developed to model the dissociation of hydrates during hot water injection process.

  7. Effect of Gemini-type surfactant on methane hydrate formation

    Energy Technology Data Exchange (ETDEWEB)

    Jeong, K.E.; Park, J.M.; Kim, C.U.; Chae, H.J.; Jeong, S.Y. [Korea Research Inst. of Chemical Technology, Jang-Dong, Yuseong-Gu, Daejeon (Korea, Republic of)

    2008-07-01

    Natural gas hydrates are formed from water and natural gas molecules at particular temperatures and pressures that become ice-like inclusion compounds. Gas hydrates offer several benefits such as energy resource potential and high storage capacity of natural gas in the form of hydrates. However, the application of natural gas hydrates has been deterred by its low formation rate and low conversion ratio of water into hydrate resulting in low actual storage capacity. This paper presented an experimental study to determine the effect of adding a novel Gemini-type surfactant on methane hydrate formation. The experimental study was described with reference to the properties of prepared diols and properties of prepared disulfonates. Gemini surfactant is the family of surfactant molecules possessing more than one hydrophobic tail and hydrophilic head group. They generally have better surface-active properties than conventional surfactants of equal chain length. The paper presented the results of the study in terms of the reactions of diols with propane sultone; storage capacity of hydrate formed with and without surfactant; and methane hydrate formation with and without disulfonate. It was concluded that the methane hydrate formation was accelerated by the addition of novel anionic Gemini-type surfactants and that hydrate formation was influenced by the surfactant concentration and alkyl chain length. For a given concentration, the surfactant with the highest chain length demonstrated the highest formation rate and storage capacity. 5 refs., 3 tabs., 4 figs.

  8. Gas hydrates: Technology status report

    Energy Technology Data Exchange (ETDEWEB)

    1987-01-01

    In 1983, the US Department of Energy (DOE) assumed the responsibility for expanding the knowledge base and for developing methods to recover gas from hydrates. These are ice-like mixtures of gas and water where gas molecules are trapped within a framework of water molecules. This research is part of the Unconventional Gas Recovery (UGR) program, a multidisciplinary effort that focuses on developing the technology to produce natural gas from resources that have been classified as unconventional because of their unique geologies and production mechanisms. Current work on gas hydrates emphasizes geological studies; characterization of the resource; and generic research, including modeling of reservoir conditions, production concepts, and predictive strategies for stimulated wells. Complementing this work is research on in situ detection of hydrates and field tests to verify extraction methods. Thus, current research will provide a comprehensive technology base from which estimates of reserve potential can be made, and from which industry can develop recovery strategies. 7 refs., 3 figs., 6 tabs.

  9. Dynamics of hydrated starch saccharides

    International Nuclear Information System (INIS)

    We report here elastic neutron scattering data on glucose and on two of its polymeric forms: amylose and amylopectin. We have covered the hydration range from the dry state to about 0.6 g water/g dry saccharide. The data indicate, in all the analysed systems, the presence of a dynamic glass-like transition similar to that observed in hydrated proteins. The fact that this feature is observed also in a relatively small molecule like glucose confirms the hypothesis already put forward by other authors, that this transition in biomolecular species is essentially triggered and driven by the interaction of the macromolecule with the network of fluctuating H-bond of the solvent

  10. Dynamics of hydrated starch saccharides

    Science.gov (United States)

    Di Bari, M.; Deriu, A.; Albanese, G.; Cavatorta, F.

    2003-08-01

    We report here elastic neutron scattering data on glucose and on two of its polymeric forms: amylose and amylopectin. We have covered the hydration range from the dry state to about 0.6 g water/g dry saccharide. The data indicate, in all the analysed systems, the presence of a dynamic glass-like transition similar to that observed in hydrated proteins. The fact that this feature is observed also in a relatively small molecule like glucose confirms the hypothesis already put forward by other authors, that this transition in biomolecular species is essentially triggered and driven by the interaction of the macromolecule with the network of fluctuating H-bond of the solvent.

  11. Dipolar response of hydrated proteins

    CERN Document Server

    Matyushov, Dmitry V

    2011-01-01

    The paper presents an analytical theory and numerical simulations of the dipolar response of hydrated proteins. The effective dielectric constant of the solvated protein, representing the average dipole moment induced at the protein by a uniform external field, shows a remarkable variation among the proteins studied by numerical simulations. It changes from 0.5 for ubiquitin to 640 for cytochrome c. The former value implies a negative dipolar susceptibility of ubiquitin, that is a dia-electric dipolar response and negative dielectrophoresis. It means that a protein carrying an average dipole of ~240 D is expected to repel from the region of a stronger electric field. This outcome is the result of a negative cross-correlation between the protein and water dipoles, compensating for the positive variance of the protein dipole in the overall dipolar susceptibility. This phenomenon can be characterized as overscreening of protein's dipole by the hydration shell. In contrast to the neutral ubiquitin, charged protei...

  12. Electrical properties of methane hydrate + sediment mixtures: The σ of CH4 Hydrate + Sediment

    Energy Technology Data Exchange (ETDEWEB)

    Du Frane, Wyatt L. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Stern, Laura A. [U. S. Geological Survey, Menlo Park, CA (United States); Constable, Steven [Scripps Institution of Oceanography, La Jolla, CA (United States); Weitemeyer, Karen A. [Scripps Institution of Oceanography, La Jolla, CA (United States); National Oceanography Centre Southampton (United Kingdom), Univ. of Southampton Waterfront Campus, Southampton (United Kingdom); Smith, Megan M. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Roberts, Jeffery J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2015-07-30

    Knowledge of the electrical properties of multicomponent systems with gas hydrate, sediments, and pore water is needed to help relate electromagnetic (EM) measurements to specific gas hydrate concentration and distribution patterns in nature. We built a pressure cell capable of measuring in situ electrical properties of multicomponent systems such that the effects of individual components and mixing relations can be assessed. We first established the temperature-dependent electrical conductivity (σ) of pure, single-phase methane hydrate to be ~5 orders of magnitude lower than seawater, a substantial contrast that can help differentiate hydrate deposits from significantly more conductive water-saturated sediments in EM field surveys. We report σ measurements of two-component systems in which methane hydrate is mixed with variable amounts of quartz sand or glass beads. Sand by itself has low σ but is found to increase the overall σ of mixtures with well-connected methane hydrate. Alternatively, the overall σ decreases when sand concentrations are high enough to cause gas hydrate to be poorly connected, indicating that hydrate grains provide the primary conduction path. Our measurements suggest that impurities from sand induce chemical interactions and/or doping effects that result in higher electrical conductivity with lower temperature dependence. Finally, these results can be used in the modeling of massive or two-phase gas-hydrate-bearing systems devoid of conductive pore water. Further experiments that include a free water phase are the necessary next steps toward developing complex models relevant to most natural systems.

  13. Martian hydrogeology sustained by thermally insulating gas and salt hydrates

    OpenAIRE

    Kargel, Jeffrey S.; Furfaro, Roberto; Prieto-Ballesteros, Olga; Rodríguez, J. Alexis P.; David R. Montgomery; Gillespie, Alan R.; Marion, Giles M.; Wood, Stephen E.

    2007-01-01

    Numerical simulations and geologic studies suggest that high thermal anomalies beneath, within, and above thermally insulating layers of buried hydrated salts and gas hydrates could have triggered and sustained hydrologic processes on Mars, producing or modifying chaotic terrains, debris flows, gullies, and ice-creep features. These simulations and geologic examples suggest that thick hydrate deposits may sustain such geothermal anomalies, shallow ground-water tables, and hydrogeologic activi...

  14. Nuclear Well Log Properties of Natural Gas Hydrate Reservoirs

    Science.gov (United States)

    Burchwell, A.; Cook, A.

    2015-12-01

    Characterizing gas hydrate in a reservoir typically involves a full suite of geophysical well logs. The most common method involves using resistivity measurements to quantify the decrease in electrically conductive water when replaced with gas hydrate. Compressional velocity measurements are also used because the gas hydrate significantly strengthens the moduli of the sediment. At many gas hydrate sites, nuclear well logs, which include the photoelectric effect, formation sigma, carbon/oxygen ratio and neutron porosity, are also collected but often not used. In fact, the nuclear response of a gas hydrate reservoir is not known. In this research we will focus on the nuclear log response in gas hydrate reservoirs at the Mallik Field at the Mackenzie Delta, Northwest Territories, Canada, and the Gas Hydrate Joint Industry Project Leg 2 sites in the northern Gulf of Mexico. Nuclear logs may add increased robustness to the investigation into the properties of gas hydrates and some types of logs may offer an opportunity to distinguish between gas hydrate and permafrost. For example, a true formation sigma log measures the thermal neutron capture cross section of a formation and pore constituents; it is especially sensitive to hydrogen and chlorine in the pore space. Chlorine has a high absorption potential, and is used to determine the amount of saline water within pore spaces. Gas hydrate offers a difference in elemental composition compared to water-saturated intervals. Thus, in permafrost areas, the carbon/oxygen ratio may vary between gas hydrate and permafrost, due to the increase of carbon in gas hydrate accumulations. At the Mallik site, we observe a hydrate-bearing sand (1085-1107 m) above a water-bearing sand (1107-1140 m), which was confirmed through core samples and mud gas analysis. We observe a decrease in the photoelectric absorption of ~0.5 barnes/e-, as well as an increase in the formation sigma readings of ~5 capture units in the water-bearing sand as

  15. A positron annihilation study of hydrated DNA

    DEFF Research Database (Denmark)

    Warman, J. M.; Eldrup, Morten Mostgaard

    1986-01-01

    Positron annihilation measurements are reported for hydrated DNA as a function of water content and as a function of temperature (20 to -180.degree. C) for samples containing 10 and 50% wt of water. The ortho-positronium mean lifetime and its intensity show distinct variations with the degree of ...

  16. Constraining the origin of the Messinian gypsum deposits using coupled measurement of δ^{18}O$/δD in gypsum hydration water and salinity of fluid inclusions

    Science.gov (United States)

    Evans, Nicholas P.; Gázquez, Fernando; McKenzie, Judith A.; Chapman, Hazel J.; Hodell, David A.

    2016-04-01

    We used oxygen and hydrogen isotopes of gypsum hydration water (GHW) coupled with salinity deduced from ice melting temperatures of primary fluid inclusions in the same samples (in tandem with 87Sr/86Sr, δ34S and other isotopic measurements) to determine the composition of the mother fluids that formed the gypsum deposits of the Messinian Salinity Crisis from shallow and intermediate-depth basins. Using this method, we constrain the origin of the Messinian Primary Lower Gypsum (PLG) of the Sorbas basin (Betic foreland) and both the Upper Gypsum (UG) and the Lower Gypsum of the Sicilian basin. We then compare these results to measurements made on UG recovered from the deep Ionian and Balearic basins drilled during DSDP Leg 42A. The evolution of GHW δ18O/δD vs. salinity is controlled by mixing processes between fresh and seawater, coupled with the degree of evaporation. Evaporation and subsequent precipitation of gypsum from fluids dominated by freshwater will result in a depressed 87Sr/86Sr values and different trajectory in δ18O/δD vs. salinity space compared to fluids dominated by seawater. The slopes of these regression equations help to define the end-members from which the fluid originated. For example, salinity estimates from PLG cycle 6 in the Sorbas basin range from 18 to 51ppt, and after correction for fractionation factors, estimated δ18O and δD values of the mother water are low (-2.6 salinity) are within error of the average isotope composition of the modern precipitation and groundwater in this region of SE Spain. This indicates there was a significant contribution of meteoric water during gypsum deposition, while 87Sr/86Sr (0.708942 salinities of fluid inclusions are higher averaging ˜100ppt. In contrast to cycle 6, the intercepts of the regression equations of cycle 2 display more positive δ18O/δD values. While the estimated range in δ18O and δD of the mother water and salinities fall below those expected from the evaporation of seawater

  17. Theoretical description of biomolecular hydration - Application to A-DNA

    Energy Technology Data Exchange (ETDEWEB)

    Garcia, A.E.; Hummer, G. [Los Alamos National Laboratory, NM (United States); Soumpasis, D.M. [Max Planck Inst. for Biophysical Chemistry, Goettingen (Germany)

    1994-12-31

    The local density of water molecules around a biomolecule is constructed from calculated two- and three-points correlation functions of polar solvents in water using a Potential-of-Mean-Force (PMF) expansion. As a simple approximation, the hydration of all polar (including charged) groups in a biomolecule is represented by the hydration of water oxygen in bulk water, and the effect of non-polar groups on hydration are neglected, except for excluded volume effects. Pair and triplet correlation functions are calculated by molecular dynamics simulations. We present calculations of the structural hydration for ideal A-DNA molecules with sequences [d(CG){sub 5}]{sub 2} and [d(C{sub 5}G{sub 5})]{sub 2}. We find that this method can accurately reproduce the hydration patterns of A-DNA observed in neutron diffraction experiments on oriented DNA fibers.

  18. Theoretical description of biomolecular hydration - Application to A-DNA

    International Nuclear Information System (INIS)

    The local density of water molecules around a biomolecule is constructed from calculated two- and three-points correlation functions of polar solvents in water using a Potential-of-Mean-Force (PMF) expansion. As a simple approximation, the hydration of all polar (including charged) groups in a biomolecule is represented by the hydration of water oxygen in bulk water, and the effect of non-polar groups on hydration are neglected, except for excluded volume effects. Pair and triplet correlation functions are calculated by molecular dynamics simulations. We present calculations of the structural hydration for ideal A-DNA molecules with sequences [d(CG)5]2 and [d(C5G5)]2. We find that this method can accurately reproduce the hydration patterns of A-DNA observed in neutron diffraction experiments on oriented DNA fibers

  19. Calculating the thermodynamic characteristics of hydrophobic hydration of chromium(III) and cobalt(III) tris-acetylacetonates in water and regularities of their solvation in aqueous alcoholic solvents

    Science.gov (United States)

    Vologdin, N. V.; Fabinskii, P. V.; Fedorov, V. A.

    2016-06-01

    Based on the scaled-particle theory, the Gibbs energy of the formation of cavities in the structure of water and some alcohols are calculated for the processes of dissolution of cobalt(III) and chromium(III) tris-acetylacetonates. The contribution from the hydrophobic hydration of the tris-acetylacetonate molecules in water is calculated. The location of the inversion area is clarified for a number of aqueous alcoholic solvents, and the effect the solvent's macrophysical parameters have on the patterns of tris-acetylacetonate solvation is analyzed.

  20. Gas hydrate growth morphologies and their effect on the stiffness and damping of a hydrate bearing sand

    OpenAIRE

    Kingston, Emily; Clayton, Chris; Priest, Jeff

    2008-01-01

    Using a specially constructed Gas Hydrate Resonant Column (GHRC), the University of Southampton explored different methods of hydrate synthesis and measured the properties of the resulting sediments, such as shear wave velocity (Vs), compressional wave velocity (Vp) and their respective attenuation measurements (Qs -1 and Qp -1). Two approaches were considered. The first utilises an excess gas technique, where known water volume in the pore space dictates the quantity of hydrate. The second a...

  1. Formation of hydrate plug within rectangular natural gas passage

    Energy Technology Data Exchange (ETDEWEB)

    Seong, K.; Song, M.H.; Ahn, J.H.; Yoo, K.S. [Dong Guk Univ., Joong-ku, Seoul (Korea, Republic of)

    2008-07-01

    Oil and gas reservoirs in off-shore shallow areas are being depleted. At the same time, the industry is expanding its production sites into deeper waters resulting in higher pressure and lower temperature and more isolated locations. In response, connecting pipelines have been extended, but because of these pressure, temperature and distance changes in pipelines, a more favorable condition for hydrate formation is created, making the problem of flow assurance more critical for safe and economic operations at deep off-shore oil and gas production sites. Another challenge in flow assurance lies in hydrate formation and potential blockage due to hydrate plugs in gas pipelines, where no free water phase is present. This paper presented an experimental study that examined the formation and the growth of hydrates from a gas mixture of methane and propane with different moisture concentrations. The hydrates were formed in a rectangular passage cooled to temperatures below equilibrium hydrate formation temperature. The paper described the experimental procedure and apparatus that was designed and fabricated for the study. A schematic layout of the hydrate formation and plug test experimental apparatus was illustrated. The paper also described the results of two sets of experiments that were conducted. It was concluded that with enough moisture content, hydrates formed without a fresh water phase under equilibrium conditions. It was also concluded that the results of the study could be used in verifying numerical models developed to predict hydrate plugging of natural gas pipelines. 4 refs., 6 figs.

  2. Ethylene Separation via Hydrate Formation in W/O Emulsions

    Directory of Open Access Journals (Sweden)

    Yong Pan

    2015-05-01

    Full Text Available An hybrid absorption-hydration method was adopted to recover C2H4 from C2H4/CH4 binary gas mixtures and the hydrate formation conditions of C2H4/CH4 mixtures was studied experimentally in diesel in water (w/o emulsions. Span 20 at a concentration of 1.0 wt% in the aqueous phase was added to form water in diesel emulsions before hydrate formation and then hydrate in diesel slurry was separated after hydrate formation. The influences of initial gas-liquid volume ratio (53–142, pressure (3.4–5.4 MPa, temperature (274.15–278.15 K, water cuts (10–30 vol%, and the mole fraction of C2H4 in feed gas (13.19–80.44 mol% upon the C2H4 separation efficiency were systematically investigated. The experimental results show that ethylene can be enriched in hydrate slurry phase with high separation factor (S and recovery ratio (R. Most hydrate formation finished in 20 min, after that, the hydrate formation rate became very slow. The conclusion is useful for determining the suitable operation conditions when adopting an absorption-hydration method to separate C2H4/CH4.

  3. Effects of salinity on methane gas hydrate system

    Institute of Scientific and Technical Information of China (English)

    YANG; DingHui; XU; WenYue

    2007-01-01

    Using an approximately analytical formation,we extend the steady state model of the pure methane hydrate system to include the salinity based on the dynamic model of the methane hydrate system.The top and bottom boundaries of the methane hydrate stability zone (MHSZ) and the actual methane hydrate zone (MHZ),and the top of free gas occurrence are determined by using numerical methods and the new steady state model developed in this paper.Numerical results show that the MHZ thickness becomes thinner with increasing the salinity,and the stability is lowered and the base of the MHSZ is shifted toward the seafloor in the presence of salts.As a result,the thickness of actual hydrate occurrence becomes thinner compared with that of the pure water case.On the other hand,since lower solubility reduces the amount of gas needed to form methane hydrate,the existence of salts in seawater can actually promote methane gas hydrate formation in the hydrate stability zone.Numerical modeling also demonstrates that for the salt-water case the presence of methane within the field of methane hydrate stability is not sufficient to ensure the occurrence of gas hydrate,which can only form when the methane concentration dissolved in solution with salts exceeds the local methane solubility in salt water and if the methane flux exceeds a critical value corresponding to the rate of diffusive methane transport.In order to maintain gas hydrate or to form methane gas hydrate in marine sediments,a persistent supplied methane probably from biogenic or thermogenic processes,is required to overcome losses due to diffusion and advection.

  4. Hydrate pingoes at Nyegga: some characteristic features

    Science.gov (United States)

    Hovland, M.

    2009-04-01

    Hydrate pingoes were observed on the seafloor during two different remotely operated vehicle (ROV)-dives, conducted by Statoil at complex-pockmark G11, at Nyegga, off Mid-Norway. Confirmation that these structures actually represent hydrate ice-cored sediment mounds (pingoes), was done by other investigators (Ivanov et al., 2006). Because it is expected that hydrate pingoes represent relatively dynamic seafloor topographic structures and that their shape and size most probably will change over relatively short time, it is important to know how to recognise them visually. Hovland and Svensen (2006) highlighted five different characteristic aspects that define hydrate pingoes on the sea floor: 1) They are dome- or disc-shaped features, which may attain any size from ~0.5 m in height and upwards. Inside pockmark G11, they were up to 1 m high. 2) They are circular or oval in plan view and may attain lateral sizes on the seafloor ranging upwards from ~0.5 m. Inside G11 they had lengths of several metres and widths of up to 4 m. 3) They have dense communities of organisms growing on their surfaces. At G11, they were overgrown with small pogonophoran tube-worms. 4) They have patches of white or grey bacterial mats growing on their surface, indicating advection (seepage) of reduced pore-waters. 5) They have small pits and patches of fluidized sediments on their surface, indicating pit corrosion of the sub-surface gas hydrate. Because gas hydrates often form in high-porosity, near-surface sediments, where water is readily available, it is thought that they will build up at locations where gases are actively migrating upwards from depth. However, gas hydrates are not stable in the presence of ambient seawater, as seawater is deficient in guest molecule gases (normally methane). Therefore, they tend to build up below surface above conduits for gas flow from depth. But, the near-surface hydrate ice-lenses will continually be corroded by seawater circulating into the sediments

  5. Coupled THCM Modeling of Gas Hydrate Bearing Sediments

    Science.gov (United States)

    Sanchez, M. J.; Gai, X., Sr.; Shastri, A.; Santamarina, J. C.

    2014-12-01

    Gas hydrates are crystalline clathrate compounds made of water and a low molecular gas, like methane. Gas hydrates are generally present in oil-producing areas and in permafrost regions. Methane hydrate deposits can lead to large-scale submarine slope failures, blowouts, platform foundation failures, and borehole instability. Gas hydrates constitute also an attractive source of energy as they are estimated to contain very large reserves of methane. Hydrate formation, dissociation and methane production from hydrate bearing sediments are coupled Thermo-Hydro-Mechanical (THM) processes that involve, amongst other, exothermic formation and endothermic dissociation of hydrate and ice phases, mixed fluid flow and large changes in fluid pressure. A comprehensive THM formulation is briefly presented here. Momentum balance, mass balance and energy balance equations take into consideration the interaction among all phases (i.e. solid, liquid, gas, hydrates and ice) and mechanical equilibrium. Constitutive equations describe the intrinsic THM behavior of the sediment. Simulation results conducted for hydrate bearing sediments subjected to boundary conditions highlight the complex interaction among THM processes in hydrate bearing sediments.

  6. First-principles elasticity of monocarboaluminate hydrates

    KAUST Repository

    Moon, J.

    2014-07-01

    The elasticity of monocarboaluminate hydrates, 3CaO·Al2O3·CaCO3·xH2O (x = 11 or 8), has been investigated by first-principles calculations. Previous experimental study revealed that the fully hydrated monocarboaluminate (x = 11) exhibits exceptionally low compressibility compared to other reported calcium aluminate hydrates. This stiff hydration product can contribute to the strength of concrete made with Portland cements containing calcium carbonates. In this study, full elastic tensors and mechanical properties of the crystal structures with different water contents (x = 11 or 8) are computed by first-principles methods based on density functional theory. The results indicate that the compressibility of monocarboaluminate is highly dependent on the water content in the interlayer region. The structure also becomes more isotropic with the addition of water molecules in this region. Since the monocarboaluminate is a key hydration product of limestone added cement, elasticity of the crystal is important to understand its mechanical impact on concrete. Besides, it is put forth that this theoretical calculation will be useful in predicting the elastic properties of other complex cementitous materials and the influence of ion exchange on compressibility.

  7. Micelle Structure and Hydrophobic Hydration.

    Science.gov (United States)

    Long, Joshua A; Rankin, Blake M; Ben-Amotz, Dor

    2015-08-26

    Despite the ubiquity and utility of micelles self-assembled from aqueous surfactants, longstanding questions remain regarding their surface structure and interior hydration. Here we combine Raman spectroscopy with multivariate curve resolution (Raman-MCR) to probe the hydrophobic hydration of surfactants with various aliphatic chain lengths, and either anionic (carboxylate) or cationic (trimethylammonium) head groups, both below and above the critical micelle concentration. Our results reveal significant penetration of water into micelle interiors, well beyond the first few carbons adjacent to the headgroup. Moreover, the vibrational C-D frequency shifts of solubilized deuterated n-hexane confirm that it resides in a dry, oil-like environment (while the localization of solubilized benzene is sensitive to headgroup charge). Our findings imply that the hydrophobic core of a micelle is surrounded by a highly corrugated surface containing hydrated non-polar cavities whose depth increases with increasing surfactant chain length, thus bearing a greater resemblance to soluble proteins than previously recognized. PMID:26222042

  8. Microstructural characteristics of natural gas hydrates hosted in various sand sediments.

    Science.gov (United States)

    Zhao, Jiafei; Yang, Lei; Liu, Yu; Song, Yongchen

    2015-09-21

    Natural gas hydrates have aroused worldwide interest due to their energy potential and possible impact on climate. The occurrence of natural gas hydrates hosted in the pores of sediments governs the seismic exploration, resource assessment, stability of deposits, and gas production from natural gas hydrate reserves. In order to investigate the microstructure of natural gas hydrates occurring in pores, natural gas hydrate-bearing sediments were visualized using microfocus X-ray computed tomography (CT). Various types of sands with different grain sizes and wettability were used to study the effect of porous materials on the occurrence of natural gas hydrates. Spatial distributions of methane gas, natural gas hydrates, water, and sands were directly identified. This work indicates that natural gas hydrates tend to reside mainly within pore spaces and do not come in contact with adjacent sands. Such an occurring model of natural gas hydrates is termed the floating model. Furthermore, natural gas hydrates were observed to nucleate at gas-water interfaces as lens-shaped clusters. Smaller sand grain sizes contribute to higher hydrate saturation. The wetting behavior of various sands had little effect on the occurrence of natural gas hydrates within pores. Additionally, geometric properties of the sediments were collected through CT image reconstructions. These findings will be instructive for understanding the microstructure of natural gas hydrates within major global reserves and for future resource utilization of natural gas hydrates. PMID:26277891

  9. Methods of gas hydrate concentration estimation with field examples

    Digital Repository Service at National Institute of Oceanography (India)

    Kumar, D.; Dash, R.; Dewangan, P.

    margin have shown a value of ~ 2.0 ohm-m for hydrate bearing sediments in contrast to a value of ~ 1.0 ohm-m for the surrounding sediments (Riedel et al., 2006). Assuming that high resistivity above the BSR is caused by the presence of gas hydrate... in pores (meaning pores are filled with water and/or gas hydrate), hydrate saturation can be estimated by Archie’s law as proposed by Lu and McMechan (2002) (8) where R o is the resistivity...

  10. Sonic and resistivity measurements on Berea sandstone containing tetrahydrofuran hydrates: a possible analogue to natural-gas-hydrate deposits. [Tetrahydrofuran hydrates

    Energy Technology Data Exchange (ETDEWEB)

    Pearson, C.; Murphy, J.; Halleck, P.; Hermes, R.; Mathews, M.

    1983-01-01

    Deposits of natural gas hydrates exist in arctic sedimentary basins and in marine sediments on continental slopes and rises. However, the physical properties of such sediments are largely unknown. In this paper, we report laboratory sonic and resistivity measurements on Berea sandstone cores saturated with a stoichiometric mixture of tetrahydrofuran (THF) and water. We used THF as the guest species rather than methane or propane gas because THF can be mixed with water to form a solution containing proportions of the proper stoichiometric THF and water. Because neither methane nor propane is soluble in water, mixing the guest species with water sufficiently to form solid hydrate is difficult. Because THF solutions form hydrates readily at atmospheric pressure it is an excellent experimental analogue to natural gas hydrates. Hydrate formation increased the sonic P-wave velocities from a room temperature value of 2.5 km/s to 4.5 km/s at -5/sup 0/C when the pores were nearly filled with hydrates. Lowering the temperature below -5/sup 0/C did not appreciably change the velocity however. In contrast, the electrical resistivity increases nearly two orders of magnitude upon hydrate formation and continues to increase more slowly as the temperature is further decreased. In all cases the resistivities are nearly frequency independent to 30 kHz and the loss tangents are high, always greater than 5. The dielectric loss shows a linear decrease with frequency suggesting that ionic conduction through a brine phase dominates at all frequencies, even when the pores are nearly filled with hydrates. We find that the resistivities are strongly a function of the dissolved salt content of the pore water. Pore water salinity also influences the sonic velocity, but this effect is much smaller and only important near the hydrate formation temperature.

  11. Enzyme hydration, activity and flexibility : A neutron scattering approach

    Energy Technology Data Exchange (ETDEWEB)

    Kurkal-Siebert, V [University of Heidelberg; Finney, J.L. [University College, London; Daniel, R. M. [University of Waikato, New Zealand; Smith, Jeremy C [ORNL

    2006-01-01

    Recent measurements have demonstrated enzyme activity at hydrations as low as 3%. The question of whether the hydration-induced enzyme flexibility is important for activity is addressed by performing picosecond dynamic neutron scattering experiments on pig liver esterase powders at various temperatures as well as solutions. At all temperatures and hydrations investigated here, significant quasielastic scattering intensity is found in the protein, indicating the presence of anharmonic, diffusive motion. As the hydration increases a temperature-dependent dynamical transition appears and strengthens involving additional diffusive motion. At low temperature, increasing hydration resulted in lower flexibility of the enzyme. At higher temperatures, systems containing sufficient number of water molecules interacting with the protein exhibit increased flexibility. The implication of these results is that, although the additional hydration-induced diffusive motion and flexibility at high temperatures in the enzyme detected here may be related to increased activity, they are not required for the enzyme to function.

  12. Pore capillary pressure and saturation of methane hydrate bearing sediments

    Institute of Scientific and Technical Information of China (English)

    SUN Shicai; LIU Changling; YE Yuguang; LIU Yufeng

    2014-01-01

    To better understand the relationship between the pore capillary pressure and hydrate saturation in sedi-ments, a new method was proposed. First, the phase equilibria of methane hydrate in fine-grained silica sands were measured. As to the equilibrium data, the pore capillary pressure and saturation of methane hydrate were calculated. The results showed that the phase equilibria of methane hydrates in fine-grained silica sands changed due to the depressed activity of pore water caused by the surface group and negatively charged characteristic of silica particles as well as the capillary pressure in small pores together. The capil-lary pressure increased with the increase of methane hydrate saturation due to the decrease of the available pore space. However, the capillary-saturation relationship could not yet be described quantitatively because of the stochastic habit of hydrate growth.

  13. Effect of localized water uptake on backfill hydration and water movement in a backfilled tunnel: half-scale tests at Aespoe Bentonite Laboratory

    Energy Technology Data Exchange (ETDEWEB)

    Dixon, D. [Atomic Energy of Canada Limited, Chalk River (Canada); Jonsson, E. [Swedish Nuclear Fuel and Waste Management Co., Stockholm (Sweden); Hansen, J. [Posiva Oy, Olkiluoto (Finland); Hedin, M. [Aangpannefoereningen, Stockholm (Sweden); Ramqvist, G. [Eltekno AB, Figeholm (Sweden)

    2011-04-15

    The report describes the outcome of the work within the project 'SU508.20 Impact of water inflow in deposition tunnels'. Project decision SKB doc 1178871 Version 3.0. Two activity plans have been used for the field work: AP TD SU50820-09-019 and AP TD SU 50820-09-071. SKB and Posiva have been examining those processes that may have particularly strong effects on the evolution of a newly backfilled deposition tunnel in a KBS-3V repository. These assessments have involved the conduct of increasingly large and complex laboratory tests and simulations of a backfilled tunnel section. In this series of four tests, the effect of water inflow into a backfilled tunnel section via an intersecting fracture feature was evaluated. The tests included the monitoring of mock-ups where water entered via the simulated fractures as well as evaluation of what the effect of isolated tunnel sections caused by localized water inflow would have on subsequent evolution of these isolated sections. It was found that even a slowly seeping fracture can have a substantial effect on the backfill evolution as it will cause development of a gasket-like feature that effectively cuts of air and water movement from inner to outer regions of the backfilled tunnel. Water entering via these fractures will ultimately move out of the tunnel via a single discrete flow path, in a manner similar to what was observed in previous 1/2-scale and smaller simulations. If the low-rate of water inflow from fracture is the only source of water inflow to the tunnel this will result in hydraulic behaviour similar to that observed for a single inflow point in previous tests. The presence of a fracture feature will however result in a larger proportion of water uptake by the process of suction than might occur in a point inflow situation and hence a more uniform water distribution will be present in the pellet fill. This also results in a greater tendency for water to be absorbed into the adjacent block fill

  14. Effect of localized water uptake on backfill hydration and water movement in a backfilled tunnel: half-scale tests at Aespoe Bentonite Laboratory

    International Nuclear Information System (INIS)

    The report describes the outcome of the work within the project 'SU508.20 Impact of water inflow in deposition tunnels'. Project decision SKB doc 1178871 Version 3.0. Two activity plans have been used for the field work: AP TD SU50820-09-019 and AP TD SU 50820-09-071. SKB and Posiva have been examining those processes that may have particularly strong effects on the evolution of a newly backfilled deposition tunnel in a KBS-3V repository. These assessments have involved the conduct of increasingly large and complex laboratory tests and simulations of a backfilled tunnel section. In this series of four tests, the effect of water inflow into a backfilled tunnel section via an intersecting fracture feature was evaluated. The tests included the monitoring of mock-ups where water entered via the simulated fractures as well as evaluation of what the effect of isolated tunnel sections caused by localized water inflow would have on subsequent evolution of these isolated sections. It was found that even a slowly seeping fracture can have a substantial effect on the backfill evolution as it will cause development of a gasket-like feature that effectively cuts of air and water movement from inner to outer regions of the backfilled tunnel. Water entering via these fractures will ultimately move out of the tunnel via a single discrete flow path, in a manner similar to what was observed in previous 1/2-scale and smaller simulations. If the low-rate of water inflow from fracture is the only source of water inflow to the tunnel this will result in hydraulic behaviour similar to that observed for a single inflow point in previous tests. The presence of a fracture feature will however result in a larger proportion of water uptake by the process of suction than might occur in a point inflow situation and hence a more uniform water distribution will be present in the pellet fill. This also results in a greater tendency for water to be absorbed into the adjacent block fill material and

  15. Phase equilibrium condition of marine carbon dioxide hydrate

    International Nuclear Information System (INIS)

    Highlights: ► CO2 hydrate phase equilibrium was studied in simulated marine sediments. ► CO2 hydrate equilibrium temperature in NaCl and submarine pore water was depressed. ► Coarse-grained silica sand does not affect CO2 hydrate phase equilibrium. ► The relationship between equilibrium temperature and freezing point was discussed. - Abstract: The phase equilibrium of ocean carbon dioxide hydrate should be understood for ocean storage of carbon dioxide. In this paper, the isochoric multi-step heating dissociation method was employed to investigate the phase equilibrium of carbon dioxide hydrate in a variety of systems (NaCl solution, submarine pore water, silica sand + NaCl solution mixture). The experimental results show that the depression in the phase equilibrium temperature of carbon dioxide hydrate in NaCl solution is caused mainly by Cl− ion. The relationship between the equilibrium temperature and freezing point in NaCl solution was discussed. The phase equilibrium temperature of carbon dioxide hydrate in submarine pore water is shifted by −1.1 K to lower temperature region than that in pure water. However, the phase equilibrium temperature of carbon dioxide hydrate in mixture samples of coarsed-grained silica sand and NaCl solution is in agreement with that in NaCl solution with corresponding concentrations. The relationship between the equilibrium temperature and freezing point in mixture samples was also discussed.

  16. Effect of under-inhibition with methanol and ethylene glycol on the hydrate control process

    Energy Technology Data Exchange (ETDEWEB)

    Yousif, M.H.

    1996-12-31

    Hydrate control can be achieved by chemical injection. Currently, methanol and ethylene glycol are the most widely used inhibitors in offshore hydrate control operations. To achieve effective hydrate inhibition, a sufficient amount of inhibitor must be injected to shift the thermodynamic equilibrium condition for hydrate formation outside the pipeline operating pressure and temperature. Recently published field experiments showed that hydrate blockages form more readily in under-inhibited systems than in systems completely without inhibitor. A laboratory study is conducted to determine the effect of low concentration (1--5wt%) methanol and ethylene glycol on the hydrate formation process. The results show that, although these chemicals are effective hydrate inhibitors when added in sufficient quantities, they actually enhance the rate of hydrate formation when added at low concentrations to the water. Furthermore, the presence of these chemicals seems to affect the size of the forming hydrate particles.

  17. 藻蓝蛋白-光动力疗法治疗小鼠HeLa细胞瘤的免疫和凋亡机制研究%Treatment of Hela Tumor in mice with C-phycocyanin Mediated Photodynamic Therapy and Its Immune Mechanism Underlying Apoptosis

    Institute of Scientific and Technical Information of China (English)

    李冰; 褚现明; 高美华

    2011-01-01

    目的 探讨藻蓝蛋白介导的光动力疗法治疗小鼠HeLa细胞瘤的免疫和凋亡机制.方法 将HeLa细胞接种于小鼠肋缘皮下脾区构建荷瘤小鼠模型.实验分成3组:对照组、激光照射组、光动力治疗组(PDT组).PDT组:肿瘤局部皮下注射藻蓝蛋白液0.25 ml(约2 g)2 h后以He-Ne激光照射.实验第7 d测瘤块重量,取胸腺、脾脏检测NK细胞活性和T细胞增殖活性.取瘤块制成石蜡包埋切片,采用原位核酸杂交技术、免疫组织化学技术检测肿瘤细胞内CD44、P53、NFκB、Fas基因的表达.结果 与对照组相比,激光照射组NK细胞和免疫T细胞的增殖活性有所增强,肿瘤细胞内抗凋亡基因(Fas)表达量显著增多,而瘤块的重量、肿瘤形成率和抗凋亡基因(P53、NFκB、CD44)明显减少.以上各项指标PDT组与激光组比较,差异亦具有显著或非常显著意义(P>0.05或P<0.01).结论 藻蓝蛋白介导的光动力疗法通过增强机体的免疫力同时启动HeLa细胞内的凋亡信号转导通路诱导细胞凋亡,从而达到杀死肿瘤的目的.%Objective To study the treatment of Hela tumor in mice with C-phycocyanin (C-PC) mediated photodynamic therapy (PDT) and its mechanism. Methods HeLa lines were injected into spleen area of mice to establish mice tumor models which then were divided into control group, He-Ne laser radiation group and PDT group. 7 days later, tumor weight, activities of NK cells, proliferation activities of immunocytes were determined. Tumor tissue was cut into sections and the expressions of apoptosis-related genes such as CD44, P53, NfκB and Fas in HeLa cells in vivo were determined by in situ hybridization assays and immunohistochemistry. Results Compared with control group, immunocyte proliferation ability and pro-apoptotic gene expression in He-Ne radiation group were slighthly higher, while the tumor weight and forming rate, anti-apoptotic genes quantities were comparatively lower. When the mice

  18. Hydration study of ordinary portland cement in the presence of zinc ions

    Directory of Open Access Journals (Sweden)

    Monica Adriana Trezza

    2007-12-01

    Full Text Available Hydration products of Portland cement pastes, hydrated in water and in the presence of zinc ions were studied comparatively at different ages. Hydration products were studied by X ray diffractions (XRD and infrared spectroscopy (IR. Although IR is not frequently used in cement chemistry, it evidenced a new phase Ca(Zn(OH32. 2H2O formed during cement hydration in the presence of zinc. The significant retardation of early cement hydration in the presence of zinc is assessed in detail by differential calorimetry as a complement to the study carried out by IR and XRD, providing evidence that permits to evaluate the kinetic of the early hydration.

  19. Investigation on a novel reactor for gas hydrate production

    International Nuclear Information System (INIS)

    Highlights: ► We develop a novel reactor for fast and continuous production of methane hydrates. ► Reactor forms hydrates by injection of water through spray nozzles. ► The method maximizes interfacial area between reactants. ► The method also minimizes mass transfer barriers and thermal effects. ► We obtain methane hydrates in some 10 min only with SDS surfactant promotion. -- Abstract: Gas hydrates have a large capacity for the storage of gases and are an attractive method for gas filtration and transportation. However, hydrate formation is usually controlled by the rate of crystallization and thus it can be a slow process. A technology that will rapidly and continuously form hydrate is necessary for scale-up. A novel reactor with an inner volume of 25 l has been designed, built and installed to form hydrates by injection of water through spray nozzles from the top of the methane-filled reactor. This method allows to maximize interfacial area between reactants and to minimize mass transfer barriers and thermal effects that negatively affect conversion of reactants into hydrate. A system was developed to remove heat released during hydrate formation, and to reach a good level of temperature control inside the reactor. A novel system for hydrate recovering and unloading was also designed. The objective of experimentation is to lower energetic costs of hydrate formation, also through surfactant promotion. Anionic surfactant sodium dodecyl sulfate, SDS, was tested. Results of a first set of experimental applications of the reactor for rapid methane hydrate formation are presented.

  20. Withdrawing Nutrition, Hydration

    Science.gov (United States)

    Module eleven of the EPEC-O Self-Study Original Version discusses the general aspects of withholding or withdrawing of life-sustaining therapies, and presents a specific application to artificial nutrition and hydration.

  1. Propane hydrate nucleation: Experimental investigation and correlation

    DEFF Research Database (Denmark)

    Jensen, Lars; Thomsen, Kaj; von Solms, Nicolas

    2008-01-01

    In this work the nucleation kinetics of propane gas hydrate has been investigated experimentally using a stirred batch reactor. The experiments have been performed isothermally recording the pressure as a function of time. Experiments were conducted at different stirring rates, but in the same...... supersaturation region. The experiments showed that the gas dissolution rate rather than the induction time of propane hydrate is influenced by a change in agitation. This was especially valid at high stirring rates when the water surface was severely disturbed.Addition of polyvinylpyrrolidone (PVP...... the presence of additives. In most cases reasonable agreement between the data and the model could be obtained. The results revealed that especially the effective surface energy between propane hydrate and water is likely to change when the stirring rate varies from very high to low. The prolongation...

  2. Reflective terahertz (THz) imaging: system calibration using hydration phantoms

    Science.gov (United States)

    Bajwa, Neha; Garritano, James; Lee, Yoon Kyung; Tewari, Priyamvada; Sung, Shijun; Maccabi, Ashkan; Nowroozi, Bryan; Babakhanian, Meghedi; Sanghvi, Sajan; Singh, Rahul; Grundfest, Warren; Taylor, Zachary

    2013-02-01

    Terahertz (THz) hydration sensing continues to gain traction in the medical imaging community due to its unparalleled sensitivity to tissue water content. Rapid and accurate detection of fluid shifts following induction of thermal skin burns as well as remote corneal hydration sensing have been previously demonstrated in vivo using reflective, pulsed THz imaging. The hydration contrast sensing capabilities of this technology were recently confirmed in a parallel 7 Tesla Magnetic Resonance (MR) imaging study, in which burn areas are associated with increases in local mobile water content. Successful clinical translation of THz sensing, however, still requires quantitative assessments of system performance measurements, specifically hydration concentration sensitivity, with tissue substitutes. This research aims to calibrate the sensitivity of a novel, reflective THz system to tissue water content through the use of hydration phantoms for quantitative comparisons of THz hydration imagery.Gelatin phantoms were identified as an appropriate tissue-mimicking model for reflective THz applications, and gel composition, comprising mixtures of water and protein, was varied between 83% to 95% hydration, a physiologically relevant range. A comparison of four series of gelatin phantom studies demonstrated a positive linear relationship between THz reflectivity and water concentration, with statistically significant hydration sensitivities (p < .01) ranging between 0.0209 - 0.038% (reflectivity: %hydration). The THz-phantom interaction is simulated with a three-layer model using the Transfer Matrix Method with agreement in hydration trends. Having demonstrated the ability to accurately and noninvasively measure water content in tissue equivalent targets with high sensitivity, reflective THz imaging is explored as a potential tool for early detection and intervention of corneal pathologies.

  3. Hydrate morphology: Physical properties of sands with patchy hydrate saturation

    Science.gov (United States)

    Dai, S.; Santamarina, J.C.; Waite, William F.; Kneafsey, T.J.

    2012-01-01

    The physical properties of gas hydrate-bearing sediments depend on the volume fraction and spatial distribution of the hydrate phase. The host sediment grain size and the state of effective stress determine the hydrate morphology in sediments; this information can be used to significantly constrain estimates of the physical properties of hydrate-bearing sediments, including the coarse-grained sands subjected to high effective stress that are of interest as potential energy resources. Reported data and physical analyses suggest hydrate-bearing sands contain a heterogeneous, patchy hydrate distribution, whereby zones with 100% pore-space hydrate saturation are embedded in hydrate-free sand. Accounting for patchy rather than homogeneous hydrate distribution yields more tightly constrained estimates of physical properties in hydrate-bearing sands and captures observed physical-property dependencies on hydrate saturation. For example, numerical modeling results of sands with patchy saturation agree with experimental observation, showing a transition in stiffness starting near the series bound at low hydrate saturations but moving toward the parallel bound at high hydrate saturations. The hydrate-patch size itself impacts the physical properties of hydrate-bearing sediments; for example, at constant hydrate saturation, we find that conductivity (electrical, hydraulic and thermal) increases as the number of hydrate-saturated patches increases. This increase reflects the larger number of conductive flow paths that exist in specimens with many small hydrate-saturated patches in comparison to specimens in which a few large hydrate saturated patches can block flow over a significant cross-section of the specimen.

  4. Hydration in soccer: a review

    Directory of Open Access Journals (Sweden)

    Monteiro Cristiano Ralo

    2003-01-01

    Full Text Available Hydration should be considered before, during and after the exercise. This review intends to approach the main points of hydration process in soccer. The replacement of fluids during exercise is proportional to some factors, such as: exercise intensity; climatic conditions; the athlete's acclimatization; the athlete's physical conditioning; physiologic individual characteristics and the player's biomechanics. Performance is improved when players ingest not only water but also carbohydrate. The rates that carbohydrate and water are absorbed by the organism are limited by the rates of gastric emptying and intestinal absorption. The composition of drinks offered to the players should be influenced by the relative importance of the need of supplying carbohydrates or water; it should be remembered that the depletion of carbohydrate can result in fatigue and decrease of performance, but it is not usually a life-threatening condition. The addition of carbohydrate in these drinks increases the concentrations of blood glucose, increases the use of external fuel through the increase of the glucose oxidation in the muscles and it spares muscle glycogen. So, the ingestion of carbohydrate before and during the exercise can delay the emergence of fatigue and increase the players' performance. Several tactics can be used to avoid dehydration, like hyperhydration before exercise and player's acclimatization. The ideal situation to restore the player's fluid losses is between the sessions of exercises. Since soccer is a sport with quite peculiar characteristics related to hydration, the players should be concerned and educated about the importance of fluid ingestion before, during and after the exercise.

  5. Controls on Gas Hydrate Formation and Dissociation

    Energy Technology Data Exchange (ETDEWEB)

    Miriam Kastner; Ian MacDonald

    2006-03-03

    The main objectives of the project were to monitor, characterize, and quantify in situ the rates of formation and dissociation of methane hydrates at and near the seafloor in the northern Gulf of Mexico, with a focus on the Bush Hill seafloor hydrate mound; to record the linkages between physical and chemical parameters of the deposits over the course of one year, by emphasizing the response of the hydrate mound to temperature and chemical perturbations; and to document the seafloor and water column environmental impacts of hydrate formation and dissociation. For these, monitoring the dynamics of gas hydrate formation and dissociation was required. The objectives were achieved by an integrated field and laboratory scientific study, particularly by monitoring in situ formation and dissociation of the outcropping gas hydrate mound and of the associated gas-rich sediments. In addition to monitoring with the MOSQUITOs, fluid flow rates and temperature, continuously sampling in situ pore fluids for the chemistry, and imaging the hydrate mound, pore fluids from cores, peepers and gas hydrate samples from the mound were as well sampled and analyzed for chemical and isotopic compositions. In order to determine the impact of gas hydrate dissociation and/or methane venting across the seafloor on the ocean and atmosphere, the overlying seawater was sampled and thoroughly analyzed chemically and for methane C isotope ratios. At Bush hill the pore fluid chemistry varies significantly over short distances as well as within some of the specific sites monitored for 440 days, and gas venting is primarily focused. The pore fluid chemistry in the tub-warm and mussel shell fields clearly documented active gas hydrate and authigenic carbonate formation during the monitoring period. The advecting fluid is depleted in sulfate, Ca Mg, and Sr and is rich in methane; at the main vent sites the fluid is methane supersaturated, thus bubble plumes form. The subsurface hydrology exhibits both

  6. The phase behavior of hydrated cholesterol.

    Science.gov (United States)

    Loomis, C R; Shipley, G G; Small, D M

    1979-05-01

    The thermotropic phase behavior of cholesterol monohydrate in water was investigated by differential scanning calorimetry, polarizing light microscopy, and x-ray diffraction. In contrast to anhydrous cholesterol which undergoes a polymorphic crystalline transition at 39 degrees C and a crystalline to liquid transition at 151 degrees C, the closed system of cholesterol monohydrate and water exhibited three reversible endothermic transitions at 86, 123, and 157 degrees C. At 86 degrees C, cholesterol monohydrate loses its water of hydration, forming the high temperature polymorph of anhydrous cholesterol. At least 24 hours were required for re-hydration of cholesterol and the rate of hydration was dependent on the polymorphic crystalline form of anhydrous cholesterol. At 123 degrees C, anhydrous crystalline cholesterol in the presence of excess water undergoes a sharp transition to a birefringent liquid crystalline phase of smectic texture. The x-ray diffraction pattern obtained from this phase contained two sharp low-angle reflections at 37.4 and 18.7 A and a diffuse wide-angle reflection centered at 5.7 A, indicating a layered smectic type of liquid crystalline structure with each layer being two cholesterol molecules thick. The liquid crystalline phase is stable over the temperature range of 123 to 157 degrees C before melting to a liquid dispersed in water. The observation of a smectic liquid crystalline phase for hydrated cholesterol correlates with its high surface activity and helps to explain its ability to exist in high concentrations in biological membranes. PMID:458269

  7. Bis(allyl)ruthenium(IV) complexes containing water-soluble phosphane ligands: synthesis, structure, and application as catalysts in the selective hydration of organonitriles into amides.

    Science.gov (United States)

    Cadierno, Victorio; Díez, Josefina; Francos, Javier; Gimeno, José

    2010-08-23

    The novel mononuclear ruthenium(IV) complexes [RuCl(2)(eta(3):eta(3)-C(10)H(16))(L)] [L=(meta-sulfonatophenyl)diphenylphosphane sodium salt (TPPMS) (2a), 1,3,5-triaza-7-phosphatricyclo[3.3.1.1(3, 7)]decane (PTA) (2b), 1-benzyl-3,5-diaza-1-azonia-7-phosphatricyclo[3.3.1.1(3, 7)]decane chloride (PTA-Bn) (2c), 3,7-diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane (DAPTA) (2d), and 2,4,10-trimethyl-1,2,4,5,7,10-hexaaza-3-phosphatricyclo[3.3.1.1(3, 7)]decane (THPA) (2e)] have been synthesized by treatment of the dimeric precursor [{RuCl(mu-Cl)(eta(3):eta(3)-C(10)H(16))}(2)] (C(10)H(16)=2,7-dimethylocta-2,6-diene-1,8-diyl) (1) with two equivalents of the corresponding water-soluble phosphane. Reaction of 1 with one equivalent of the cage-type diphosphane ligand 2,3,5,6,7,8-hexamethyl-2,3,5,6,7,8-hexaaza-1,4-diphosphabicyclo[2.2.2]octane (THDP) allowed also the high-yield preparation of the dinuclear derivative [{RuCl(2)(eta(3):eta(3)-C(10)H(16))}(2)(mu-THDP)] (2f). All these new complexes have been analytically and spectroscopically (IR and multinuclear NMR) characterized. In addition, the structure of 2b, 2c, 2d, and 2f was unequivocally confirmed by X-ray diffraction methods. Complexes 2a-f are active catalysts for the selective hydration of nitriles to amides in pure aqueous medium under neutral conditions. The wide scope of this catalytic transformation has been evaluated by using the most active catalysts [RuCl(2)(eta(3):eta(3)-C(10)H(16))(THPA)] (2e) and [{RuCl(2)(eta(3):eta(3)-C(10)H(16))}(2)(mu-THDP)] (2f). Advantages of using MW versus conventional thermal heating are also discussed. PMID:20586085

  8. A three-dimensional study on the formation and dissociation of methane hydrate in porous sediment by depressurization

    International Nuclear Information System (INIS)

    Highlights: ► A method to synthesize typical hydrate-bearing samples is proposed. ► Hydrate dissociation in three-dimensional cell occurs throughout the hydrate zone. ► The sharp interface is hardly found during hydrate depressurization dissociation. ► Hydrate dissociation rates at different locations are not uniform. ► Thermal buffering and heat transfer influence on gas production rate of hydrate. - Abstract: A middle-scale reactor equipped with 16 thermocouples was used to investigate the formation and dissociation of methane hydrate in sediment in three dimensions. A method was proposed to form hydrate homogeneously distributed in sediment, i.e., using frozen sand instead of wet sand with pore water. With the formed hydrate sample, hydrate dissociation experiment by depressurization was carried out at a constant pressure of 1.0 MPa. It was found that gas hydrate dissociation occurs throughout the hydrate zone, which controlled by both mass transfer and heat transfer throughout the stages. The sharp-interface is hardly found during the hydrate dissociation. The thermal buffering was observed at the temperature of (271.5–272.2) K during the hydrate dissociation process. The ice arisen from hydrate dissociation slows the hydrate dissociation rate below the ice point, which will affect gas production rate. It may be more reasonable that the depressurization method is used in the initial stage and the thermal stimulation method is used in the later stage in the process of gas recovery from hydrate reservoir.

  9. A positron annihilation study of hydrated DNA

    DEFF Research Database (Denmark)

    Warman, J. M.; Eldrup, Morten Mostgaard

    1986-01-01

    Positron annihilation measurements are reported for hydrated DNA as a function of water content and as a function of temperature (20 to -180.degree. C) for samples containing 10 and 50% wt of water. The ortho-positronium mean lifetime and its intensity show distinct variations with the degree of...... content until, for approximately 50% water, its properties resemble more those of a highly viscous fluid....

  10. Methane Hydrate Formation and Dissociation in a PartiallySaturated Core-Scale Sand Sample

    Energy Technology Data Exchange (ETDEWEB)

    Kneafsey, Timothy J.; Tomutsa, Liviu; Moridis, George J.; Seol,Yongkoo; Freifeld, Barry M.; Taylor, Charles E.; Gupta, Arvind

    2005-11-03

    We performed a sequence of tests on a partiallywater-saturated sand sample contained in an x-ray transparent aluminumpressure vessel that is conducive to x-ray computed tomography (CT)observation. These tests were performed to gather data for estimation ofthermal properties of the sand/water/gas system and thesand/hydrate/water/gas systems, as well as data to evaluate the kineticnature of hydrate dissociation. The tests included mild thermalperturbations for the estimation of the thermal properties of thesand/water/gas system, hydrate formation, thermal perturbations withhydrate in the stability zone, hydrate dissociation through thermalstimulation, additional hydrate formation, and hydrate dissociationthrough depressurization with thermal stimulation. Density changesthroughout the sample were observed as a result of hydrate formation anddissociation, and these processes induced capillary pressure changes thataltered local water saturation.

  11. Hydration in the Pediatric Athlete - How to Guide Your Patients.

    Science.gov (United States)

    Bergeron, Michael F

    2015-01-01

    Hydration is arguably among the foremost priorities youth athletes, parents, and coaches habitually consider as vital for sports. Insufficient hydration and a resultant measurable sweat-induced body water deficit can negatively affect performance and, in some athletic scenarios, can be a danger to a young athlete's health and safety, especially during vigorous physical activity in a warm-to-hot environment. Accordingly, it is essential to be well hydrated prior to practice, training, and competition and minimize total body water deficits incurred while being mindful of the greater sweat losses and hydration needs/challenges that accompany physical growth and maturation. Informed clinicians can play a key role as trusted resources in providing the most effective guidelines and making the best overall individual recommendations regarding hydration for youth athletes. PMID:26166053

  12. Calorimetric Determination of Enthalpy of Formation of Natural Gas Hydrates

    Institute of Scientific and Technical Information of China (English)

    高军; KennethN.Marsh

    2003-01-01

    This paper reports the measurements of enthalpies of natural gas hydrates in typical natural gas mixture containing methane, ethane, propane and iso-butane at pressure in the vicinity of 2000 kPa (300 psi) and 6900 kPa(1000psi). The measurements were made in a multi-cell differential scanning calorimeter using modified high pressure cells. The enthalpy of water and the enthalpy of dissociation of the gas hydrate were determined from the calorimeter response during slow temperature scanning at constant pressure. The amount of gas released from the dissociation of hydrate was determined from the pumped volume of the high pressure pump. The occupation ratio (mole ratio) of the water to gas and the enthalpy of hydrate formation are subject to uncertainty of 1.5%.The results show that the enthalpy of hydrate formation and the occupation ratio are essentially independent of pressure.

  13. Coupled measurements of δ18O and δD of hydration water and salinity of fluid inclusions in gypsum from the Messinian Yesares Member, Sorbas Basin (SE Spain)

    Science.gov (United States)

    Evans, Nicholas P.; Turchyn, Alexandra V.; Gázquez, Fernando; Bontognali, Tomaso R. R.; Chapman, Hazel J.; Hodell, David A.

    2015-11-01

    We studied one cycle (Cycle 6) of gypsum-marl deposition from the Messinian Yesares Member in Sorbas Basin, Spain. The objective was to reconstruct the changing environment of deposition and its relation to astronomically-forced climate change. The δ18O and δD of gypsum hydration water (CaSO4 • 2H2O) and salinity of fluid inclusions were measured in the same samples to test if they record the composition of the mother fluid from which gypsum was precipitated. Water isotopes are highly correlated with fluid inclusion salinity suggesting the hydration water has not exchanged after formation. The relatively low water isotope values and fluid inclusion salinities indicate a significant influence of meteoric water, whereas δ34S, δ18OSO4 and 87Sr/86Sr support a dominant marine origin for the gypsum deposits. The discrepancy between water and elemental isotope signatures can be reconciled if meteoric water dissolved previously deposited marine sulfates supplying calcium and sulfate ions to the basin which maintained gypsum saturation. This recycling process accounts for the marine δ34S, δ18OSO4 and 87Sr/86Sr signatures, whereas the low δ18O and δD values of gypsum hydration water and fluid inclusion salinities reflect the influence of freshwater. The cyclic deposition of gypsum and marl in the Yesares Member has previously been interpreted to reflect changing climate related to Earth's precession cycle. We demonstrate that the δ18O, δD and salinity of the parent brine increased from low values at the base of the cycle to a maximum in the massive gypsum palisade, and decreased again to lower values in the supercones at the top of the cycle. This pattern, together with changes in mineralogy (calcite-dolomite-gypsum), is consistent with a precession-driven change in climate with wettest conditions (summer insolation maxima) associated with the base of the calcium carbonate marls and driest conditions (summer insolation minima) during formation of the gypsum

  14. Temperature dependence of protein hydration hydrodynamics by molecular dynamics simulations.

    Energy Technology Data Exchange (ETDEWEB)

    Lau, E Y; Krishnan, V V

    2007-07-18

    The dynamics of water molecules near the protein surface are different from those of bulk water and influence the structure and dynamics of the protein itself. To elucidate the temperature dependence hydration dynamics of water molecules, we present results from the molecular dynamic simulation of the water molecules surrounding two proteins (Carboxypeptidase inhibitor and Ovomucoid) at seven different temperatures (T=273 to 303 K, in increments of 5 K). Translational diffusion coefficients of the surface water and bulk water molecules were estimated from 2 ns molecular dynamics simulation trajectories. Temperature dependence of the estimated bulk water diffusion closely reflects the experimental values, while hydration water diffusion is retarded significantly due to the protein. Protein surface induced scaling of translational dynamics of the hydration waters is uniform over the temperature range studied, suggesting the importance protein-water interactions.

  15. Role of Hydration Force in the Self-Assembly of Collagens and Amyloid Steric Zipper Filaments

    OpenAIRE

    Ravikumar, Krishnakumar M.; Hwang, Wonmuk

    2011-01-01

    In protein self-assembly, types of surfaces determine the force between them. Yet the extent to which the surrounding water contributes to this force remains as a fundamental question. Here we study three self-assembling filament systems that respectively have hydrated (collagen), dry non-polar and dry polar (amyloid) interfaces. Using molecular dynamics simulations, we calculate and compare local hydration maps and hydration forces. We find that the primary hydration shells are formed all ov...

  16. Submarine methane hydrates - Potential fuel resource of the 21st century

    Digital Repository Service at National Institute of Oceanography (India)

    Desa, E.

    the biogenic or thermogenic origin of the methane. Hydrate progressively fills and cements the sediment pore-spaces and fractures, giving rise to massive and vein type hydrate deposits. The temperature and pressure conditions for hydrate stability depends... of hydrates in cores, if these can be collected and stored under in situ conditions for later analyses. 107 Ehrlich Desa Proxies: Pore water chemistry is studied at various intervals of the core. The entire core can also be studied for textural parameters...

  17. New Observations and Insights into the Morphology and Growth Kinetics of Hydrate Films

    OpenAIRE

    Sheng-Li Li; Chang-Yu Sun; Bei Liu; Zhi-Yun Li; Guang-Jin Chen; Amadeu K. Sum

    2014-01-01

    The kinetics of film growth of hydrates of methane, ethane, and methane-ethane mixtures were studied by exposing a single gas bubble to water. The morphologies, lateral growth rates, and thicknesses of the hydrate films were measured for various gas compositions and degrees of subcooling. A variety of hydrate film textures was revealed. The kinetics of two-dimensional film growth was inferred from the lateral growth rate and initial thickness of the hydrate film. A clear relationship between ...

  18. Natural gas exploitation by carbon dioxide from gas hydrate fields - high-pressure phase equilibrium for an ethane hydrate system

    International Nuclear Information System (INIS)

    Natural gas hydrate fields which have a large amount of methane and ethane deposits in the subterranean Arctic and in the bottom of the sea at various places in the world, have become the object of public attention as a potential natural gas resource. Here the idea of natural gas exploitation from natural gas hydrate fields combined with CO2 isolation using CO2 hydrate has been presented. As a fundamental study, high-pressure phase behaviour for the ethane hydrate system was investigated in a high-pressure cell up to a maximum pressure of 100 MPa, following a previous study of CO2 and methane hydrates. Consequently, the phase equilibrium relationship of an ethane hydrate-water-liquid ethane mixture was obtained in the temperature range from 290.4 to 298.4 K and over a pressure range of 19.48 to 83.75 MPa. The observed phase boundary corresponds to the three-phase coexisting line with non-variant quadruple point of ethane hydrate-water-liquid ethane-gaseous ethane at 288.8 K and 3.50 MPa, similar to the CO2 hydrate-water-liquid CO2 system. (Author)

  19. Detecting gas hydrate behavior in crude oil using NMR.

    Science.gov (United States)

    Gao, Shuqiang; House, Waylon; Chapman, Walter G

    2006-04-01

    Because of the associated experimental difficulties, natural gas hydrate behavior in black oil is poorly understood despite its grave importance in deep-water flow assurance. Since the hydrate cannot be visually observed in black oil, traditional methods often rely on gas pressure changes to monitor hydrate formation and dissociation. Because gases have to diffuse through the liquid phase for hydrate behavior to create pressure responses, the complication of gas mass transfer is involved and hydrate behavior is only indirectly observed. This pressure monitoring technique encounters difficulties when the oil phase is too viscous, the amount of water is too small, or the gas phase is absent. In this work we employ proton nuclear magnetic resonance (NMR) spectroscopy to observe directly the liquid-to-solid conversion of the water component in black oil emulsions. The technique relies on two facts. The first, well-known, is that water becomes essentially invisible to liquid state NMR as it becomes immobile, as in hydrate or ice formation. The second, our recent finding, is that in high magnetic fields of sufficient homogeneity, it is possible to distinguish water from black oil spectrally by their chemical shifts. By following changes in the area of the water peak, the process of hydrate conversion can be measured, and, at lower temperatures, the formation of ice. Taking only seconds to accomplish, this measurement is nearly direct in contrast to conventional techniques that measure the pressure changes of the whole system and assume these changes represent formation or dissociation of hydrates - rather than simply changes in solubility. This new technique clearly can provide accurate hydrate thermodynamic data in black oils. Because the technique measures the total mobile water with rapidity, extensions should prove valuable in studying the dynamics of phase transitions in emulsions. PMID:16570953

  20. Hydration dynamics near a model protein surface

    International Nuclear Information System (INIS)

    The evolution of water dynamics from dilute to very high concentration solutions of a prototypical hydrophobic amino acid with its polar backbone, N-acetyl-leucine-methylamide (NALMA), is studied by quasi-elastic neutron scattering and molecular dynamics simulation for both the completely deuterated and completely hydrogenated leucine monomer. We observe several unexpected features in the dynamics of these biological solutions under ambient conditions. The NALMA dynamics shows evidence of de Gennes narrowing, an indication of coherent long timescale structural relaxation dynamics. The translational water dynamics are analyzed in a first approximation with a jump diffusion model. At the highest solute concentrations, the hydration water dynamics is significantly suppressed and characterized by a long residential time and a slow diffusion coefficient. The analysis of the more dilute concentration solutions takes into account the results of the 2.0M solution as a model of the first hydration shell. Subtracting the first hydration layer based on the 2.0M spectra, the translational diffusion dynamics is still suppressed, although the rotational relaxation time and residential time are converged to bulk-water values. Molecular dynamics analysis shows spatially heterogeneous dynamics at high concentration that becomes homogeneous at more dilute concentrations. We discuss the hydration dynamics results of this model protein system in the context of glassy systems, protein function, and protein-protein interfaces

  1. Gas hydrate resource quantification in Uruguay

    International Nuclear Information System (INIS)

    The gas hydrates are crystalline solids formed by natural gas (mostly methane) and water, which are stable in thermobaric conditions given under high pressures and low temperatures. These conditions are given in permafrost zones and continental margin basins offshore in the nature

  2. Physicochemical and structural studies of clathrate hydrates of tetrabutylammonium polyacrylates.

    Science.gov (United States)

    Terekhova, Irina S; Manakov, Andrey Yu; Komarov, Vladislav Yu; Villevald, Galina V; Burdin, Alexander A; Karpova, Tamara D; Aladko, Eugeny Ya

    2013-03-01

    In this work, physicochemical and structural studies have been carried out for semiclathrate hydrates of linear (un-cross-linked) and cross-linked tetrabutylammonium polyacrylates with different degrees of cross-linking of the polymeric guest molecules (n = 0.5, 1, 2, 3%) and different degrees of substitution of proton ions of carboxylic groups in poly(acrylic acid) for TBA cations (x = 1, 0.8, 0.6). The changes in the hydrates' stability and composition depending on the outlined parameters were examined in the course of phase diagram studies of the binary systems water-tetrabutylammonium polyacrylates using differential thermal analysis method and calorimetric measurements of fusion enthalpies of the hydrates. Phase diagram studies of the binary system water-linear tetrabutylammonium polyacrylate revealed the formation of four hydrates. Based on the data of chemical analysis of hydrate crystals the compositions of all hydrates have been determined. Single-crystal X-ray diffraction studies revealed a tetragonal structure, space group 4/m, and unit cell parameters are close for different hydrates and lie in the ranges a = 23.4289-23.4713 Å and c = 12.3280-12.3651 Å (150 K). The structure can be related to tetragonal structure I typical for the clathrate hydrates of tetraalkylammonium salts with monomeric anions. Powder X-ray diffraction analyses confirmed the identity of the above crystal structure to that of the hydrates with cross-linked tetrabutylammonium polyacrylates. The behavior of TBA polyacrylate hydrates under the pressure of methane was studied and quantitative assessment of the gas content in the hydrates was made using volumetric analysis method. PMID:23383955

  3. Kinetic and thermodynamic behaviour of CF4 clathrate hydrates

    International Nuclear Information System (INIS)

    Highlights: • The kinetics and thermodynamics of CF4 hydrates are investigated. • Experimental hydrate dissociation conditions for CF4 are reported. • Good agreement between the experimental data and model predictions is observed. • The effect of initial conditions (T and P) on the CF4 hydrate kinetics is studied. - Abstract: This study presents experimental kinetic and thermodynamic data for CF4 clathrate hydrates. Experimental measurements were undertaken in a high pressure equilibrium cell with a 40 cm3 inner volume. The measurements of experimental hydrate dissociation conditions were performed in the temperature range of (273.8 to 278.3) K and pressures ranging from (4.55 to 11.57) MPa. A thermodynamic model based on van der Waals and Platteeuw (vdW–P) solid solution theory was used for prediction and comparison of hydrate dissociation conditions and the Langmuir constant parameters for CF4 based on Parrish and Prausnitz equation are reported. For the kinetics, the effect of initial pressure and temperature on the induction time, CF4 hydrate formation rate, the apparent rate constant of reaction, storage capacity, and water to hydrate conversion during the hydrate formation were studied. Kinetic experiments were performed at initial temperatures of (275.3, 276.1 and 276.6) K and initial pressures of (7.08, 7.92, 9.11, 11.47 and 11.83) MPa. Results show that increasing the initial pressure at constant temperature decreases the induction time, while CF4 hydrate formation rate, the apparent rate constant of reaction, storage capacity, and water to hydrate conversion increase. The same trends are observed with a decrease in the initial temperature at constant pressure

  4. Hydrophobic amino acids as a new class of kinetic inhibitors for gas hydrate formation

    Science.gov (United States)

    Sa, Jeong-Hoon; Kwak, Gye-Hoon; Lee, Bo Ram; Park, Da-Hye; Han, Kunwoo; Lee, Kun-Hong

    2013-08-01

    As the foundation of energy industry moves towards gas, flow assurance technology preventing pipelines from hydrate blockages becomes increasingly significant. However, the principle of hydrate inhibition is still poorly understood. Here, we examined natural hydrophobic amino acids as novel kinetic hydrate inhibitors (KHIs), and investigated hydrate inhibition phenomena by using them as a model system. Amino acids with lower hydrophobicity were found to be better KHIs to delay nucleation and retard growth, working by disrupting the water hydrogen bond network, while those with higher hydrophobicity strengthened the local water structure. It was found that perturbation of the water structure around KHIs plays a critical role in hydrate inhibition. This suggestion of a new class of KHIs will aid development of KHIs with enhanced biodegradability, and the present findings will accelerate the improved control of hydrate formation for natural gas exploitation and the utilization of hydrates as next-generation gas capture media.

  5. Geomechanical Performance of Hydrate-Bearing Sediment in Offshore Environments

    Energy Technology Data Exchange (ETDEWEB)

    Stephen Holditch; Tad Patzek; Jonny Rutqvist; George Moridis; Richard Plumb

    2008-03-31

    The objective of this multi-year, multi-institutional research project was to develop the knowledge base and quantitative predictive capability for the description of geomechanical performance of hydrate-bearing sediments (hereafter referred to as HBS) in oceanic environments. The focus was on the determination of the envelope of hydrate stability under conditions typical of those related to the construction and operation of offshore platforms. We have developed a robust numerical simulator of hydrate behavior in geologic media by coupling a reservoir model with a commercial geomechanical code. We also investigated the geomechanical behavior of oceanic HBS using pore-scale models (conceptual and mathematical) of fluid flow, stress analysis, and damage propagation. The objective of the UC Berkeley work was to develop a grain-scale model of hydrate-bearing sediments. Hydrate dissociation alters the strength of HBS. In particular, transformation of hydrate clusters into gas and liquid water weakens the skeleton and, simultaneously, reduces the effective stress by increasing the pore pressure. The large-scale objective of the study is evaluation of geomechanical stability of offshore oil and gas production infrastructure. At Lawrence Berkeley National Laboratory (LBNL), we have developed the numerical model TOUGH + Hydrate + FLAC3D to evaluate how the formation and disassociation of hydrates in seafloor sediments affects seafloor stability. Several technical papers were published using results from this model. LBNL also developed laboratory equipment and methods to produce realistic laboratory samples of sediments containing gas hydrates so that mechanical properties could be measured in the laboratory. These properties are required to run TOUGH + Hydrate + FLAC3D to evaluate seafloor stability issues. At Texas A&M University we performed a detailed literature review to determine what gas hydrate formation properties had been measured and reported in the literature. We

  6. Evolved gas analysis of hydrated phases in Murchison and Orgueil

    OpenAIRE

    Morris, A.A.; Baker, L; Franchi, I.A.; Wright, I. P.

    2005-01-01

    To better characterise the hydrated minerals in chondrites Evolved Gas Analysis of Murchison, Orgueil and selected minerals has been carried out. Meteorite water release profiles show significant differences to expected reference minerals.

  7. Geo-scientific investigations of gas-hydrates in India

    Digital Repository Service at National Institute of Oceanography (India)

    Sain, K.; Gupta, H.; Mazumdar, A.; Bhaumik, A.K.; Bhowmick, P.K.

    The best solution to meet India's overwhelming energy requirement is to tap the nuclear and solar power to the maximum extent possible. Another feasible major energy resource is gas-hydrates (crystalline substances of methane and water) that have...

  8. PART II. HYDRATED CEMENTS

    Directory of Open Access Journals (Sweden)

    Milan Drabik

    2014-09-01

    Full Text Available Essential focus of the study has been to acquire thermoanalytical events, incl. enthalpies of decompositions - ΔH, of technological materials based on two types of Portland cements. The values of thermoanalytical events and also ΔH of probes of technological compositions, if related with the data of a choice of minerals of calcium-silicate-sulfate-aluminate hydrates, served as a valued input for the assessment of phases present and phase changes due to the topical hydraulic processes. The results indicate mainly the effects of "standard humidity" or "wet storage" of the entire hydration/hydraulic treatment, but also the presence of cement residues alongside calcium-silicate-sulfate-aluminate hydrates (during the tested period of treatment. "A diluting" effect of unhydrated cement residues upon the values of decomposition enthalpies in the studied multiphase system is postulated and discussed

  9. EXPERIMENT ON METHANE GAS HYDRATE FORMATION%甲烷水合物储气实验研究

    Institute of Scientific and Technical Information of China (English)

    郑新; 樊栓狮

    2003-01-01

    @@ 1 INTRODUCTION Methane gas hydrates (MGH) are solid phase crystalline inclusion compounds (also called clathrates) that consist of a host water lattice with cavities in which methane gas is caged as a guest gas.Methane gas hydrate might contain 164 volumes (at standard pressure and temperature)of methane and 0.87 volumes of water per volume hydrate.

  10. The growth rate of gas hydrate from refrigerant R12

    Energy Technology Data Exchange (ETDEWEB)

    Kendoush, Abdullah Abbas; Jassim, Najim Abid [Centre of Engineering Physics, Ministry of Sciences and Technology, P.O. Box 765, Baghdad (Iraq); Joudi, Khalid A. [Al-Nahrain University, Baghdad (Iraq)

    2006-07-15

    Experimental and theoretical investigations were presented dealing with three phase direct-contact heat transfer by evaporation of refrigerant drops in an immiscible liquid. Refrigerant R12 was used as the dispersed phase, while water and brine were the immiscible continuous phase. A numerical solution is presented to predict the formation rate of gas hydrates in test column. The solution provided an acceptable agreement when compared with experimental results. The gas hydrate growth rate increased with time. It increased with increasing dispersed phase flow rate. The presence of surface-active sodium chloride in water had a strong inhibiting effect on the gas hydrate formation rate. (author)

  11. Methane hydrate distribution from prolonged and repeated formation in natural and compacted sand samples: X-ray CT observations

    Energy Technology Data Exchange (ETDEWEB)

    Rees, E.V.L.; Kneafsey, T.J.; Seol, Y.

    2010-07-01

    To study physical properties of methane gas hydrate-bearing sediments, it is necessary to synthesize laboratory samples due to the limited availability of cores from natural deposits. X-ray computed tomography (CT) and other observations have shown gas hydrate to occur in a number of morphologies over a variety of sediment types. To aid in understanding formation and growth patterns of hydrate in sediments, methane hydrate was repeatedly formed in laboratory-packed sand samples and in a natural sediment core from the Mount Elbert Stratigraphic Test Well. CT scanning was performed during hydrate formation and decomposition steps, and periodically while the hydrate samples remained under stable conditions for up to 60 days. The investigation revealed the impact of water saturation on location and morphology of hydrate in both laboratory and natural sediments during repeated hydrate formations. Significant redistribution of hydrate and water in the samples was observed over both the short and long term.

  12. Methane Hydrate Distribution from Prolonged and Repeated Formation in Natural and Compacted Sand Samples: X-Ray CT Observations

    Directory of Open Access Journals (Sweden)

    Emily V. L. Rees

    2011-01-01

    Full Text Available To study physical properties of methane gas hydrate-bearing sediments, it is necessary to synthesize laboratory samples due to the limited availability of cores from natural deposits. X-ray computed tomography (CT and other observations have shown gas hydrate to occur in a number of morphologies over a variety of sediment types. To aid in understanding formation and growth patterns of hydrate in sediments, methane hydrate was repeatedly formed in laboratory-packed sand samples and in a natural sediment core from the Mount Elbert Stratigraphic Test Well. CT scanning was performed during hydrate formation and decomposition steps, and periodically while the hydrate samples remained under stable conditions for up to 60 days. The investigation revealed the impact of water saturation on location and morphology of hydrate in both laboratory and natural sediments during repeated hydrate formations. Significant redistribution of hydrate and water in the samples was observed over both the short and long term.

  13. Electrical Measurement to Assess Hydration Process and the Porosity Formation

    Institute of Scientific and Technical Information of China (English)

    WEI Xiaosheng; XIAO Lianzhen; LI Zongjin

    2008-01-01

    The change of electrical resistivity with time at early ages was used to investigate the hydration process and the porosity development. Porosity reduction process of cement-based materials hydration was developed by a proposed method. The porosity reduction is fast at the setting period. The results find that the pore discontinuity occurs faster at lower water/cement ratios than at higher water/cement ratios which is similar to the results of the Percolation method.

  14. Hydration effects of deoxyadenosine: A differential calorimetric study

    Science.gov (United States)

    Cooper, Robert; Lee, S. A.; Griffey, R. H.; Mohan, V.

    2000-03-01

    The water of hydration is an integral part of the double helical structure of DNA. In order to understand the interactions between water and DNA, we have studied the hydration of the nucleoside deoxyadenosine as a function of relative humidity. Differential scanning calorimetry was used to measure the enthalpy and activation energy of dehydration. These data will be contrasted with the results obtained from guanosine and deoxyguanosine.

  15. Experimental study and modeling of the kinetics of refrigerant hydrate formation

    International Nuclear Information System (INIS)

    Highlights: • The kinetics of the hydrate formation of three refrigerant blends is studied. • The refrigerants include three alternative refrigerants R407C, R410A and R507C. • A kinetic model is developed. • The induction time, apparent rate constant and the rate of hydrate formation are particularly studied. • The effect of sodium dodecyl sulfate (SDS) on the hydrate nucleation rate is investigated. - Abstract: The purpose of this study was to identify compatible hydrate forming-refrigerants suitable for air-conditioning systems. The main challenge in designing an air conditioning system which utilises refrigerant hydrates as a media for storage of cold energy is the rate of formation and dissociation of the refrigerant hydrates. Hence, in this experimental study the kinetics of hydrate formation of three refrigerant blends, viz. R407C, R410A and R507C have been investigated. The induction time for hydrate formation, apparent rate constant of the hydrate reaction, water to hydrate conversion during hydrate growth, storage capacity, and the rate of hydrate formation of these refrigerants at various pressures and temperatures have been obtained using a kinetic model. The effect of sodium dodecyl sulfate (SDS) on the hydrate nucleation rate was also investigated

  16. Gas hydrates: past and future geohazard?

    Science.gov (United States)

    Maslin, Mark; Owen, Matthew; Betts, Richard; Day, Simon; Dunkley Jones, Tom; Ridgwell, Andrew

    2010-05-28

    Gas hydrates are ice-like deposits containing a mixture of water and gas; the most common gas is methane. Gas hydrates are stable under high pressures and relatively low temperatures and are found underneath the oceans and in permafrost regions. Estimates range from 500 to 10,000 giga tonnes of carbon (best current estimate 1600-2000 GtC) stored in ocean sediments and 400 GtC in Arctic permafrost. Gas hydrates may pose a serious geohazard in the near future owing to the adverse effects of global warming on the stability of gas hydrate deposits both in ocean sediments and in permafrost. It is still unknown whether future ocean warming could lead to significant methane release, as thermal penetration of marine sediments to the clathrate-gas interface could be slow enough to allow a new equilibrium to occur without any gas escaping. Even if methane gas does escape, it is still unclear how much of this could be oxidized in the overlying ocean. Models of the global inventory of hydrates and trapped methane bubbles suggest that a global 3( degrees )C warming could release between 35 and 940 GtC, which could add up to an additional 0.5( degrees )C to global warming. The destabilization of gas hydrate reserves in permafrost areas is more certain as climate models predict that high-latitude regions will be disproportionately affected by global warming with temperature increases of over 12( degrees )C predicted for much of North America and Northern Asia. Our current estimates of gas hydrate storage in the Arctic region are, however, extremely poor and non-existent for Antarctica. The shrinking of both the Greenland and Antarctic ice sheets in response to regional warming may also lead to destabilization of gas hydrates. As ice sheets shrink, the weight removed allows the coastal region and adjacent continental slope to rise through isostacy. This removal of hydrostatic pressure could destabilize gas hydrates, leading to massive slope failure, and may increase the risk of

  17. Particle size and hydration medium effects on hydration properties and sugar release of wheat straw fibers

    International Nuclear Information System (INIS)

    Wheat straw is gaining importance as a feedstock for the production of biofuels and high value-added bioproducts. Several pretreatments recover the fermentable fraction involving the use of water or aqueous solutions. Therefore, hydration properties of wheat straw fibers play an important role in improving pretreatment performance. In this study, the water retention capacity (WRC) and swelling of wheat straw fibers were studied using water, propylene glycol (PPG) and an effluent from a H2-producing reactor as the hydration media with three particle sizes (3.35, 2.00 and 0.212 mm). The effects of swelling were analyzed by optical and confocal laser scanning microscopy (CLSM). The highest WRC was reached with the effluent medium (9.84 ± 0.87 g g−1 in 4 h), followed by PPG (8.52 ± 0.18 g g−1 in 1 h) and water (8.74 ± 0.76 g g−1 in 10 h). The effluent hydration treatment had a synergic effect between the enzymes present and the water. The particle size had a significant effect on the WRC (P < 0.01), the highest values were reached with 3.35 mm fibers. The CLSM images showed that finer fibers were subjected to a shaving effect due to the grinding affecting its capacity to absorb the hydration medium. The microscopic analysis showed the increase in the width of the epidermal cells after the hydration and a more undulating cell wall likely due to the hydration of the amorphous regions in the cellulose microfibrils. The sugar release was determined, achieving the highest glucose content with the effluent hydration treatment. - Highlights: • Water retention capacity (WRC) and swelling of wheat straw fibers were studied. • The highest WRC was achieved with a biological effluent. • The enzymatic activity in the biological effluent yielded the highest sugar release. • Finer fibers showed a shaving effect that affected its capacity to absorb water. • A more undulating cell wall was visualized after the hydration

  18. Study on the mechanism of C-phycocyanin mediated photodynamic therapy in curing mice with MCF-7%藻蓝蛋白介导光动力疗法在乳腺癌治疗中的机制研究

    Institute of Scientific and Technical Information of China (English)

    李冰; 褚现明; 高美华; 徐颖婕

    2011-01-01

    目的 探讨藻蓝蛋白介导的光动力学疗法在乳腺癌治疗中的机制.方法 将MCF-7细胞接种于小鼠肋缘皮下脾区构建乳腺癌小鼠模型.小鼠分成4组:对照组、He-Ne激光照射组、藻蓝蛋白处理组、光动力学治疗组(PDT组).10 d后检测瘤块重量,NK细胞活性和T细胞增殖活性.取瘤块制成石蜡包埋切片,采用原位核酸杂交技术、免疫组织化学技术检测组织细胞内凋亡相关蛋白的表达.体外培养的MCF-7细胞也相应分成4组,通过MTT法、电镜和免疫荧光技术检测细胞增殖活性、细胞形态、细胞色素C表达量的变化.结果 与对照组相比,激光照射组各检测指标均无明显差异,而藻蓝蛋白处理组中NK细胞和T细胞的增殖活性有所增强,肿瘤组织细胞内抗凋亡蛋白(Fas)表达量明显增多,而瘤块的重量、肿瘤形成率和抗凋亡蛋白(p53、NF-κB、CD44)明显减少,如果藻蓝蛋白结合激光治疗发现各检测指标与对照组比较差异更为明显.体外试验证实藻蓝蛋白能抑制MCF-7细胞的增殖,促进细胞色素C的释放,电镜下细胞呈现典型的凋亡形态,用光动力学方法处理后效果更为明显.结论 藻蓝蛋白可以作为一种光敏剂,其介导的光动力学疗法通过增强机体的免疫力同时启动乳腺癌细胞内的凋亡信号转导通路诱导细胞凋亡,从而达到杀死肿瘤的目的.%Aim To study the mechanism of C-phycocyanin ( C-PC ) mediated photodynamic therapy ( PDT ) in curing breast cancer.Methods MCF-7 cells were injected into spleen area of mice to establish mice models with breast cancer which then were divided into four groups: control group, He-Ne laser radiation group, C-PC treatment group and PDT group.10 days later, tumor weight, activities of NK cells, proliferative activities of T cells were determined.The tumors were made to paraffin section and the expressions of apoptosis related proteins such as CD44 , P53 ,NFKB and Fas in

  19. Heat of Hydration of Low Activity Cementitious Waste Forms

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-07-23

    During the curing of secondary waste grout, the hydraulic materials in the dry mix react exothermally with the water in the secondary low-activity waste (LAW). The heat released, called the heat of hydration, can be measured using a TAM Air Isothermal Calorimeter. By holding temperature constant in the instrument, the heat of hydration during the curing process can be determined. This will provide information that can be used in the design of a waste solidification facility. At the Savannah River National Laboratory (SRNL), the heat of hydration and other physical properties are being collected on grout prepared using three simulants of liquid secondary waste generated at the Hanford Site. From this study it was found that both the simulant and dry mix each had an effect on the heat of hydration. It was also concluded that the higher the cement content in the dry materials mix, the greater the heat of hydration during the curing of grout.

  20. The Pore Structure and Hydration Performance of Sulphoaluminate MDF Cement

    Institute of Scientific and Technical Information of China (English)

    HUANG Cong-yun; YUAN Run-zhang; LONG Shi-zong

    2004-01-01

    The hydration and pore structure of sulphoaluminate MDF cement were studied by X-ray diffractometer ( XRD ), scanning electron microscope (SEM) and mercury intrusion porosimeter ( MIP ) etc. The ex-perimental results indicate that hydration products of the materials are entringites ( Aft ), aluminium hydroxide andCSH (Ⅰ) gel etc. Due to its very low water-cement ratio, hydration function is only confined to the surfaces of ce-ment grains, and there is a lot of sulphoaluminate cement in the hardenite which is unhydrated yet. Hydration re-action was rapidly carried under the condition of the heat-pressing. Therefore cement hydrates Aft, CSH (Ⅰ) andaluminium hydroxide gel fill in pores. The expansibility of Aft makes the porosity of MDF cement lower ( less than1 percent ) and the size of pore smaller (80 percent pore was less than 250A), and enhances its strength.

  1. Dissociation of methane hydrate in aqueous NaCl solutions.

    Science.gov (United States)

    Yagasaki, Takuma; Matsumoto, Masakazu; Andoh, Yoshimichi; Okazaki, Susumu; Tanaka, Hideki

    2014-10-01

    Molecular dynamics simulations of the dissociation of methane hydrate in aqueous NaCl solutions are performed. It is shown that the dissociation of the hydrate is accelerated by the formation of methane bubbles both in NaCl solutions and in pure water. We find two significant effects on the kinetics of the hydrate dissociation by NaCl. One is slowing down in an early stage before bubble formation, and another is swift bubble formation that enhances the dissociation. These effects arise from the low solubility of methane in NaCl solution, which gives rise to a nonuniform spatial distribution of solvated methane in the aqueous phase. We also demonstrate that bubbles form near the hydrate interface in dense NaCl solutions and that the hydrate dissociation proceeds inhomogeneously due to the bubbles. PMID:25237735

  2. Hydrate plugging or slurry flow : effect of key variables

    Energy Technology Data Exchange (ETDEWEB)

    Dellecase, E.; Geraci, G.; Barrios, L.; Estanga, D.; Domingues, R.; Volk, M. [Tulsa Univ., Tulsa, OK (United States)

    2008-07-01

    Although oil and gas companies have proven design criteria and proper operating procedures to prevent hydrate plugs from forming, hydrates remain the primary issue in flow assurance. The costs associated with hydrate prevention affect project economics, particularly in deepwater pipelines. As such, there is an interest in developing a technology that allows hydrates to be transported as a slurry, while avoiding plugs. The feasibility of managing such hydrate flow was investigated. This study used a hydrate flow loop to investigate the effects of flow conditions on the transportability of a slurry in both steady-state and restart conditions. For most cases, uninhibited steady-state slurry flow conditions above 25 per cent water-cut were marginal, and most likely not feasible at 50 per cent water-cut or above. Liquid loading and velocity appeared to have a marginal effect on plugging tendency. However, minimum velocity may be needed to guarantee slurry transportation. Some of the important parameters and key variables that determine if a plug will form, particularly in restart conditions, include oil-water dispersion properties; oil-water phase segregation on the plugging tendency of model fluids; the location and state of the water; and the flow pattern. It was concluded that the plugging behaviour of oil systems changes with these variables, and with the oil-water chemistry. As such, specific strategies must be developed for each field. 4 refs., 1 tab., 14 figs.

  3. Growth Kinetics and Mechanics of Hydrate Films by Interfacial Rheology.

    Science.gov (United States)

    Leopércio, Bruna C; de Souza Mendes, Paulo R; Fuller, Gerald G

    2016-05-01

    A new approach to study and understand the kinetics and mechanical properties of hydrates by interfacial rheology is presented. This is made possible using a "double wall ring" interfacial rheology cell that has been designed to provide the necessary temperature control. Cyclopentane and water are used to form hydrates, and this model system forms these structures at ambient pressures. Different temperature and water/hydrocarbon contact protocols are explored. Of particular interest is the importance of first contacting the hydrocarbon against ice crystals in order to initiate hydrate formation. Indeed, this is found to be the case, even though the hydrates may be created at temperatures above the melting point of ice. Once hydrates completely populate the hydrocarbon/water interface, strain sweeps of the interfacial elastic and viscous moduli are conducted to interrogate the mechanical response and fragility of the hydrate films. The dependence on temperature, Tf, by the kinetics of formation and the mechanical properties is reported, and the cyclopentane hydrate dissociation temperature was found to be between 6 and 7 °C. The formation time (measured from the moment when cyclopentane first contacts ice crystals) as well as the elastic modulus and the yield strain increase as Tf increases. PMID:27076092

  4. Kinetics Characteristics of Nitrogen Hydrates Respond to Differential Scanning Calorimetry

    Science.gov (United States)

    Chen, Q.; Liu, C.; Ye, Y.; Gong, J.

    2012-12-01

    In this study, a high pressure differential scanning calorimetry (HP DSC) based on thermo-analytical technique was applied to investigate the kinetics and thermodynamics characteristics of nitrogen hydrates. Nitrogen hydrates was synthesized in the sample vessel under different pressures as temperature decreased from 293 to 233 K with a constant cooling rate of 0.2 K/min controlled by the DSC. To measure the hydrates dissociation enthalpies , the temperature was slowly raised up from 233 to 293 K at a constant rate ranging of 0.05 K/min. 1. Peak area on the heat flow curves represents the amount of heat during phase transition. In these experiments, the total water added to the sample vessel (mt) is already known. By integrating the peak areas of ice and hydrate, we know the total heats of ice (Qi) and hydrate (Qh), respectively. As the heat of ice per gram can be measured easily (336.366 J/g), the mass of ice (mi) can be obtain. Then, the dissociation heat of nitrogen hydrate per gram (Hh ) can be calculated by the equation: H(J/g)=Qh/(mt-mi) It is shown that the dissociation heats of nitrogen hydrates are a little larger than ice, but do not change a lot with different pressures. The average value of dissociation heat is 369.158 J/g. 2. During the DSC cooling stage, hydrate formed at temperature much lower than equilibrium. The biggest sub-cooling is about 291 K, while the smallest one is about 279 K. However, during these experiments, the pressure did not show obvious relationship with sub-cooling. It confirmed that even the proper conditions were achieved, formation was still a stochastic process. For one thing, due to the random distribution of dissolved gas in water, the interfacial tension and the water activity were not equal in the whole system. And if there was a free gas phase, which leads to different fugacity on water-gas interface, the stochastic behavior would be more significant in the sample vessel. 3. The energy released from hydrates formation as

  5. Aluminum Sulfate 18 Hydrate

    Science.gov (United States)

    Young, Jay A.

    2004-01-01

    A chemical laboratory information profile (CLIP) of the chemical, aluminum sulfate 18 hydrate, is presented. The profile lists physical and harmful properties, exposure limits, reactivity risks, and symptoms of major exposure for the benefit of teachers and students using the chemical in the laboratory.

  6. Wet hydrate dissolution plant

    Directory of Open Access Journals (Sweden)

    Stanković Mirjana S.

    2003-01-01

    Full Text Available The IGPC Engineering Department designed basic projects for a wet hydrate dissolution plant, using technology developed in the IGPC laboratories. Several projects were completed: technological, machine, electrical, automation. On the basis of these projects, a production plant with capacity of 50,000 t/y was manufactured, at "Zeolite Mira", Mira (VE, Italy, in 1997, for increasing detergent zeolite production from 50,000 to 100,000 t/y. Several goals were realized by designing a wet hydrate dissolution plant. Main goal was increasing the detergent zeolite production capacity. The technological cycle of NaOH was closed, and no effluents emitted, and there is no pollution. Wet hydrate dissolution is now fully continuous, which is important for maintaining zeolite production quality, as well as for simplifying production. The wet hydrate production process is fully automatized, and the product has uniform quality. The production process can be controlled manually, which is necessary during start-up, and repairs. By installing additional process equipment (centrifugal pumps and dissolving reactors technological bottlenecks were overcome, and by adjusting NaOH tanks and dissolving reactors, the capacities of the process equipment was fully utilized.

  7. Hydrating cement pastes as a complex disordered system

    Science.gov (United States)

    Häussler, F.; Hempel, M.; Eichhorn, F.; Hempel, A.; Baumbach, H.

    1995-01-01

    In small-angle neutron scattering (SANS) experiments, realized on the MURN facility of the pulsed reactor IBR-2 of the Frank Laboratory of Neutron Physics at the Joint Institute for Nuclear Research, Dubna, the hydration processes in samples of ordinary Portland cement (OPC) and single clinker minerals are studied. The measured scattering curve contains information about the fractal behaviour of the interfaces and the size distribution of the scattering particles. Furthermore, a variation of the heavy and light water composition for the hydration water supports the selection of the observable microstructural objects. In dependence on the size distribution of the clinker grains a various time-dependent behaviour of the potential law of the scattering curve is shown. Considering the SANS results of hydrating OPC the exponents of the scattering curve in a given Q-range are varying in dependence on the hydration time and sample thickness. They lie in an interval from about -2 to -4. This is believed to be associated with fractal behaviour. A set of four hydrating C3S-samples is divided into 2 parts after an under water storage of 53 days. Then 2 samples were stored in an H2O/D2O-mixture for reducing the variety of the several hydration products by changing the neutron optical contrast. Considering the time-dependent change of the potential law of the scattering curves of hydrating C3S-samples some differences in contrast to hydrating OPC powder are visible. Within about 100 days after mixing the dry C3S powder with water the exponents of the SANS curves in the measured Q-range are higher than -3. If the hydration products of C3S are forming fractal structures then volume or mass fractals of some nanometers are shown.

  8. The role of natural gas hydrates in global changes

    International Nuclear Information System (INIS)

    The main features of gas hydrates which produce global changes are: structure and composition of hydrates, heat of the phase transition and of accumulation and decomposition (about 420 kJ kg-1), the change of the water specific volume (26-32%) under its transition to the hydrate state, and the electric impulse formation between the two phases during the phase transitions of systems. One volume of water contains 70-200 volumes of gas in hydrate state. Gas pressure in the crystal lattice of hydrate is hundreds, even thousands MPa. The hydrate formation zone is associated with frigid areas of Earth sedimentary rocks; on the land, near the polar regions, in the sea, at any latitude at depths >200-500 m. Methane hydrate resources make up about 104 Gt, 99% of them under the sea. The explored resources are 500 Gt. Hydrate methane is, undoubtedly, the energy potential of mankind for the next century, but the rates of the free methane outflow into the atmosphere and their influence on the global climate, ecology, geography, etc. need to be taken into account. The current amount of methane in the atmosphere is about 4.8 Gt. Thus, the average Earth surface temperature is increased by 1.3 K. The annual increase of methane in the atmosphere is 1%. Natural gas hydrates, their spreading and features may cause blowouts of free methane to the atmosphere, much greater than the current biochemical and technogenic sources. Methane may flow from the top and from the bottom of the layer as well under changing thermodynamic conditions, such as decreasing pressure, increase of the geothermal gradient, neotectonic shifts, changing of the hydrate deposits, electric potential. The free methane provides for an increase of CO2, H2O, O3 concentration. The heating effect of methane can be equal to or exceed that of CO2

  9. When proteins are completely hydrated in crystals.

    Science.gov (United States)

    Carugo, Oliviero

    2016-08-01

    In the crystalline state, protein surface patches that do not form crystal packing contacts are exposed to the solvent and one or more layers of hydration water molecules can be observed. It is well known that these water molecules cannot be observed at very low resolution, when the scarcity of experimental information precludes the observation of several parts of the protein molecule, like for example side-chains at the protein surface. On the contrary, more details are observable at high resolution. Here it is shown that it is necessary to reach a resolution of about 1.5-1.6Å to observe a continuous hydration layer at the protein surface. This contrasts previous estimations, which were more tolerant and according to which a resolution of 2.5Å was sufficient to describe at the atomic level the structure of the hydration layer. These results should prove useful in guiding a more rigorous selection of structural data to study protein hydration and in interpreting new crystal structures. PMID:27112977

  10. CO₂ processing and hydration of fruit and vegetable tissues by clathrate hydrate formation.

    Science.gov (United States)

    Takeya, Satoshi; Nakano, Kohei; Thammawong, Manasikan; Umeda, Hiroki; Yoneyama, Akio; Takeda, Tohoru; Hyodo, Kazuyuki; Matsuo, Seiji

    2016-08-15

    CO2 hydrate can be used to preserve fresh fruits and vegetables, and its application could contribute to the processing of carbonated frozen food. We investigated water transformation in the frozen tissue of fresh grape samples upon CO2 treatment at 2-3 MPa and 3°C for up to 46 h. Frozen fresh bean, radish, eggplant and cucumber samples were also investigated for comparison. X-ray diffraction indicated that after undergoing CO2 treatment for several hours, structure I CO2 hydrate formed within the grape tissue. Phase-contrast X-ray imaging using the diffraction-enhanced imaging technique revealed the presence of CO2 hydrate within the intercellular spaces of these tissues. The carbonated produce became effervescent because of the dissociation of CO2 hydrate through the intercellular space, especially above the melting point of ice. In addition, suppressed metabolic activity resulting from CO2 hydrate formation, which inhibits water and nutrient transport through intercellular space, can be expected. PMID:27006222

  11. Silicate anion structural change in calcium silicate hydrate gel on dissolution of hydrated cement

    International Nuclear Information System (INIS)

    High pH conditions of aqueous solutions in a radioactive waste repository can be brought about by dissolution of cementitious materials. In order to clarify the mechanisms involved in maintaining this high pH for long time, we investigated the dissolution phenomena of OPC hydrate. In the present research, leaching tests on powdered cement hydrates were conducted by changing the ratio of mass of leaching water to mass of OPC hydrate (liquid/solid ratio) from 10 - 2,000 (wt/wt). Ordinary Portland Cement hydrate was contacted with deionized water and placed in a sealed bottle. After a predetermined period, the solid was separated from the solution. From the results of XRD analysis on the solid phase and the Ca concentration in the aqueous phase, it was confirmed that Ca(OH)2 was preferentially dissolved when the liquid/solid ratio was 10 or 100 (wt/wt), and that C-S-H gel as well as Ca(OH)2 were dissolved when the liquid/solid ratio was 500 (wt/wt) or larger. 29Si-NMR results showed that the silicate anion chain of the C-S-H gel became longer when the liquid/solid ratio was 500 (wt/wt) or greater. This indicates that leaching of OPC hydrate results in a structural change of C-S-H gel. (author)

  12. Gas hydrate saturation from acoustic impedance and resistivity logs in the shenhu area, south china sea

    Science.gov (United States)

    Wang, X.; Wu, S.; Lee, M.; Guo, Y.; Yang, S.; Liang, J.

    2011-01-01

    During the China's first gas hydrate drilling expedition -1 (GMGS-1), gas hydrate was discovered in layers ranging from 10 to 25 m above the base of gas hydrate stability zone in the Shenhu area, South China Sea. Water chemistry, electrical resistivity logs, and acoustic impedance were used to estimate gas hydrate saturations. Gas hydrate saturations estimated from the chloride concentrations range from 0 to 43% of the pore space. The higher gas hydrate saturations were present in the depth from 152 to 177 m at site SH7 and from 190 to 225 m at site SH2, respectively. Gas hydrate saturations estimated from the resistivity using Archie equation have similar trends to those from chloride concentrations. To examine the variability of gas hydrate saturations away from the wells, acoustic impedances calculated from the 3 D seismic data using constrained sparse inversion method were used. Well logs acquired at site SH7 were incorporated into the inversion by establishing a relation between the water-filled porosity, calculated using gas hydrate saturations estimated from the resistivity logs, and the acoustic impedance, calculated from density and velocity logs. Gas hydrate saturations estimated from acoustic impedance of seismic data are ???10-23% of the pore space and are comparable to those estimated from the well logs. The uncertainties in estimated gas hydrate saturations from seismic acoustic impedances were mainly from uncertainties associated with inverted acoustic impedance, the empirical relation between the water-filled porosities and acoustic impedances, and assumed background resistivity. ?? 2011 Elsevier Ltd.

  13. Dissociation behaviour of (tetra-n-butylammonium bromide + tetra-n-butylammonium chloride) mixed semiclathrate hydrate systems

    International Nuclear Information System (INIS)

    Highlights: • Thermal properties of (TBAB + TBAC) mixed hydrates were studied. • Dissociation temperatures and enthalpies exceeded those of pure hydrates. • Crystal systems of the mixed hydrates were comparable to those of pure hydrates. • Mixed hydrates showed small crystal distortion and hence large hydration numbers. • (TBAB + TBAC) mixed hydrates may be useful in thermal storage and gas transport. - Abstract: The thermal properties of {tetra-n-butylammonium bromide + tetra-n-butylammonium chloride (TBAB + TBAC)} mixed semiclathrate hydrates prepared from aqueous solutions were investigated by dissociation temperature measurements and differential scanning calorimetry (DSC). The maximum dissociation temperature of the mixed hydrate crystals at 0.1 MPa is 288.5 K for xTBAB = 0.2 {mole fraction of TBAB to (TBAB + TBAC)}, which is higher than that of the pure hydrates {T = (285.5 and 288.2) K for TBAB and TBAC hydrates, respectively}. In addition, the dissociation enthalpies of the mixed hydrates are higher than those of the pure hydrates {(5.55 ± 0.06) kJ ⋅ mol−1 H2O for pure TBAB hydrate and (5.30 ± 0.05) kJ ⋅ mol−1 H2O for pure TBAC hydrate}, with a maximum of (5.95 ± 0.12) kJ ⋅ mol−1 H2O recorded at approximately xTBAB = 0.4. It was therefore suggested that the crystal distortion in (TBAB + TBAC) mixed hydrates, caused by replacing water molecules by both bromide and chloride anions, was smaller than that observed for each pure hydrate. Consequently, the hydration numbers in the mixed hydrates were hypothesized to be slightly higher than those of the pure hydrates

  14. Energy dissipation of nanoconfined hydration layer: Long-range hydration on the hydrophilic solid surface

    OpenAIRE

    Kim, Bongsu; Kwon, Soyoung; Mun, Hyosik; An, Sangmin; Jhe, Wonho

    2014-01-01

    The hydration water layer (HWL), a ubiquitous form of water on the hydrophilic surfaces, exhibits anomalous characteristics different from bulk water and plays an important role in interfacial interactions. Despite extensive studies on the mechanical properties of HWL, one still lacks holistic understanding of its energy dissipation, which is critical to characterization of viscoelastic materials as well as identification of nanoscale dissipation processes. Here we address energy dissipation ...

  15. STUDY OF THE INFLUENCE OF COMPLEMENTARY HYDRATION ON THE MECHANICAL PROPERTIES OF SELF-REDUCING PELLETS

    Directory of Open Access Journals (Sweden)

    Felippe de Oliveira Sousa

    2015-06-01

    Full Text Available This study has investigated how different methods and time of complementary hydration affects the cold strength of self-reducing pellets. Identical pellets had been made by the addition of pellet feed, coal, cement and lime and have been subjected to hydration by water immersion or in a moist chamber for different periods. A group of non-hydrated pellets was used as reference for evaluation the effect of hydration. The pellets were then characterized by mechanical tests of compression and tumbling strength. The results have shown an increase in the mechanical properties of pellets and have proved that the hydration by moist chamber was the most efficient method.

  16. Portland cement hydration in the presence of admixtures: black gram pulse and superplasticizer

    Directory of Open Access Journals (Sweden)

    Viveka Nand Dwivedi

    2008-12-01

    Full Text Available Effect of admixtures such as black gram pulse (BGP and sulfonated naphthalene based superplasticizer (SP on the hydration of Portland cement has been studied. The hydration characteristics of OPC in the presence of BGP and SP were studied with the help of non evaporable water content determinations, calorimetric method, Mössbauer spectroscopic and atomic force microscopic techniques. Results have shown that both BGP and SP get adsorbed at the surface of cement and its hydration products. The hydration of Portland cement is retarded in the presence of both the admixtures and nanosize hydration products are formed.

  17. Phase behavior of methane hydrate in silica sand

    International Nuclear Information System (INIS)

    Highlights: • Hydrate p-T trace in coarse-grained sediment is consistent with that in bulk water. • Fine-grained sediment affects hydrate equilibrium for the depressed water activity. • Hydrate equilibrium in sediment is related to the pore size distribution. • The application of hydrate equilibrium in sediment depends on the actual condition. -- Abstract: Two kinds of silica sand powder with different particle size were used to investigate the phase behavior of methane hydrate bearing sediment. In coarse-grained silica sand, the measured temperature and pressure range was (281.1 to 284.2) K and (5.9 to 7.8) MPa, respectively. In fine-grained silica sand, the measured temperature and pressure range was (281.5 to 289.5) K and (7.3 to 16.0) MPa, respectively. The results show that the effect of coarse-grained silica sand on methane hydrate phase equilibrium can be ignored; however, the effect of fine-grained silica sand on methane hydrate phase equilibrium is significant, which is attributed to the depression of water activity caused by the hydrophilicity and negatively charged characteristic of silica particle as well as the pore capillary pressure. Besides, the analysis of experimental results using the Gibbs–Thomson equation shows that methane hydrate phase equilibrium is related to the pore size distribution of silica sand. Consequently, for the correct application of phase equilibrium data of hydrate bearing sediment, the geological condition and engineering requirement should be taken into consideration in gas production, resource evaluation, etc

  18. Experimental Study of Gas Hydrate Dynamics

    Science.gov (United States)

    Fandino, O.; Ruffine, L.

    2011-12-01

    Important quantities of methane and other gases are trapped below the seafloor and in the permafrost by an ice-like solid, called gas hydrates or clathrate hydrates. The latter is formed when water is mixing with different gases at high pressures and low temperatures. Due to a their possible use as a source of energy [1] or the problematic related to flow assurance failure in pipelines [2] the understanding of their processes of formation/destabilisation of these structures becomes a goal for many laboratories research as well as industries. In this work we present an experimental study on the stochastic behaviour of hydrate formation from a bulk phase. The method used here for the experiments was to repeat several time the same hydrate formation procedure and to notice the different from one experiment to another. A variable-volume type high-pressure apparatus with two sapphire windows was used. This device, already presented by Ruffine et al.[3], allows us to perform both kinetics and phase equilibrium measurements. Three initial pressure conditions were considered here, 5.0 MPa, 7.5 MPa and 10.0 MPa. Hydrates have been formed, then allowed to dissociate by stepwise heating. The memory effect has also been investigated after complete dissociation. It turned out that, although the thermodynamics conditions of formation and/or destabilization were reproducible. An attempt to determine the influence of pressure on the nucleation induction time will be discussed. References 1. Sum, A. K.; Koh, C. A.; Sloan, E. D., Clathrate Hydrates: From Laboratory Science to Engineering Practice. Industrial & Engineering Chemistry Research 2009, 48, 7457-7465. 2. Sloan, E. D., A changing hydrate paradigm-from apprehension to avoidance to risk management. Fluid Phase Equilibria 2005, 228, 67-74. 3. Ruffine, L.; Donval, J. P.; Charlou, J. L.; Cremière, A.; Zehnder, B. H., Experimental study of gas hydrate formation and destabilisation using a novel high-pressure apparatus. Marine

  19. The effect of degumming by hydration on the purification of high acidity solvent extracted olive oil

    OpenAIRE

    Thomopoulos, C. D.; Tzía, C.

    1993-01-01

    The degumming result of the following factors was studied: the temperature of hydration, the percentage of water in oil and the contact time at the hydration temperature. The hydration at 95°C with 2% water for a contact time of 15 min resulted in maximum removal of phosphorus of the oil with minimum oil losses. The same purification result was also attained at 80°G with 2% water and for a contact time of 15 min causing 2.19% greater losses of the oil. Under these conditions the hydration res...

  20. L'hydratation de la surface de Mars vue par l'imageur spectral OMEGA

    OpenAIRE

    Jouglet, Denis

    2008-01-01

    Water is currently present on Mars as ice, vapor and surface hydration. Hydration is known to be adsorbed water on minerals or prisoned in their structure. It can influence the Martian water cycle as well as enable mineral alteration or exobiology. This PhD thesis studies the global and seasonal aspects of hydration using the data from the visible and near infrared imaging spectrometer OMEGA. Our work is based on the 3 µm hydration absorption feature, which has required to develop an efficien...

  1. Hydration Free Energies of Molecular Ions from Theory and Simulation.

    Science.gov (United States)

    Misin, Maksim; Fedorov, Maxim V; Palmer, David S

    2016-02-11

    We present a theoretical/computational framework for accurate calculation of hydration free energies of ionized molecular species. The method is based on a molecular theory, 3D-RISM, combined with a recently developed pressure correction (PC+). The 3D-RISM/PC+ model can provide ∼3 kcal/mol hydration free energy accuracy for a large variety of ionic compounds, provided that the Galvani potential of water is taken into account. The results are compared with direct atomistic simulations. Several methodological aspects of hydration free energy calculations for charged species are discussed. PMID:26756333

  2. Hysteresis of methane hydrate formation/decomposition at subsea geological conditions

    International Nuclear Information System (INIS)

    Full text: Gas hydrates are a major risk when transporting oil and gas in offshore subsea pipelines. Under typical conditions in these pipelines (at high pressure and low temperature) the formation of gas hydrates is favourable. The hydrates form large solid plugs that can block pipelines and can even cause them to burst. This represents a major problem for the gas mining industry, which currently goes to extreme measures to reduce the risk of hydrate formation because there is no reliable experimental data on hydrate processes. The mechanisms of gas hydrate formation, growth and inhibition are poorly understood. A clear understanding of the fundamental processes will allow development of cost effective technologies to avoid production losses in gas pipelines. We are studying the nucleation of the methane hydrates by measuring the hysteresis of hydrate formation/decomposition by neutron diffraction. When a gas hydrate is decomposed (melted) the resulting water has a 'supposed memory effect' raising the probability of rapid hydrate reformation. This rapid reformation does not occur for pure water where nucleation can be delayed by several hours (induction time) due to metastability [1]. The memory effect can only be destroyed by extreme heating of the effected area. Possible causes of this effect include residual water structure, persistent hydrate crystal lites remaining in solution and remaining dissolved gas. We will compare the kinetics of formation and the stability region of hydrate formation of 'memory' water for comparison with pure water. This information has important implications for the oil and gas industry because it should provide a better understanding of the role of multiple dissociation and reformation of gas hydrates in plug formation.

  3. Density dependence of the spur lifetime and the 'escape' hydrated electron yield in the low-LET radiolysis of supercritical water at 400°C

    International Nuclear Information System (INIS)

    The 'spur lifetime' (τs) in the low-LET radiolysis of supercritical water (SCW) at 400 °C has been determined as a function of density by using a simple model of energy deposition initially in spurs, followed by the random diffusion of the species formed until spur expansion is complete. The values of τs are found to decrease from ~5.0 x 10-6 to ~5.0 x 10-8 s over the density range ~0.15 to 0.6 g/cm3. Using Monte-Carlo simulations, our calculated density dependence of the 'escape' hydrated electron (e-aq) yield (i.e., at time τs) reproduces fairly well Bartels and co-workers' scavenged e-aq yield data, strongly suggesting that these data may have been measured at time close to τs. (author)

  4. Effects of salinity on hydrate stability and implications for storage of CO2 in natural gas hydrate reservoirs

    OpenAIRE

    Husebø, Jarle; Ersland, Geir; Graue, Arne; Kvamme, Bjørn

    2009-01-01

    The win-win situation of CO2 storage in natural gas hydrate reservoirs is attractive for several reasons in addition to the associated natural gas production. Since both pure CO2 and pure methane form structure I hydrate there is no expected volume change by replacing the in situ methane with CO2, and there is not net production of associated water which requires extra handling. The geo-mechanical implication of the first of these may be a very important issue since hydrates in unconsolidated...

  5. Modeling Hydrates and the Gas Hydrate Markup Language

    OpenAIRE

    Wang, Weihua; Moridis, George; Wang, Runqiang; Xiao, Yun; Li, Jianhui

    2007-01-01

    Natural gas hydrates, as an important potential fuels, flow assurance hazards, and possible factors initiating the submarine geo-hazard and global climate change, have attracted the interest of scientists all over the world. After two centuries of hydrate research, a great amount of scientific data on gas hydrates has been accumulated. Therefore the means to manage, share, and exchange these data have become an urgent task. At present, metadata (Markup Language) is recognized as one of the mo...

  6. Hydration of an amphiphilic excipient, Gelucire 44/14

    OpenAIRE

    Svensson, Anna; Neves, Carole; Cabane, Bernard

    2004-01-01

    The hydration behavior of an amphiphilic excipient, Gelucire 44/14, has been investigated. Two types of hydration processes were studied: one with increasing humidity to investigate the conditions during storage, and one with increasing water contents to study the behavior during dissolution. In addition, the main components of the excipient were investigated separately. These were polyethylene glycol (PEG), PEG monolaurate and PEG dilaurate (PEG esters), trilaurin (glyceride) and glycerol. T...

  7. Notes on hydrated cement fractals investigated by SANS

    Energy Technology Data Exchange (ETDEWEB)

    Ficker, T [Faculty of Civil Engineering, Physics Department, Technical University, Zizkova 17, CZ-602 00 Brno (Czech Republic); Len, A [Budapest Neutron Centre, Konkoly Thege 29-33, H-1525 Budapest (Hungary); Nemec, P [Faculty of Civil Engineering, Physics Department, Technical University, Zizkova 17, CZ-602 00 Brno (Czech Republic)

    2007-07-07

    Hydrated cement pastes with different water-to-cement ratios have been investigated by the small-angle scattering neutron technique. Special attention has been paid to the fractal nanostructure of the calcium silicate hydrate (C-S-H solid gel) and its basic building particles, i.e. nanometric globules. The inner stability of these particles has been tested and shown to be sufficiently persistent to withstand all spatial regroupings of the overall nanostructure caused by variations of w/c ratios.

  8. Structure and Hydration of Highly Branched, Monodisperse Phytoglycogen Nanoparticles

    Science.gov (United States)

    Atkinson, John; Nickels, Jonathan; Stanley, Christopher; Diallo, Souleymane; Katsaras, John; Dutcher, John

    Monodisperse phytoglycogen nanoparticles are a promising, new soft colloidal nanomaterial with many applications in the personal care, food, nutraceutical and pharmaceutical industries. These applications rely on exceptional properties that emerge from the highly branched structure of phytoglycogen and its interaction with water, such as extraordinarily high water retention, and low viscosity and exceptional stability in water. The structure and hydration of the nanoparticles was characterized using small angle neutron scattering (SANS) and quasielastic neutron scattering (QENS). SANS allowed us to determine the size of the nanoparticles, evaluate their radial density profile, quantify the particle-to-particle spacing, and determine their water content. The results show clearly that the nanoparticles are highly hydrated, with each nanoparticle containing 250% of its mass in water, and that aqueous dispersions approach a jamming transition at ~ 25% (w/w). QENS experiments provided an independent and consistent measure of the high level of hydration of the particles.

  9. Hydration benefits to courtship feeding in crickets

    OpenAIRE

    Ivy, T. M.; Johnson, J. C.; Sakaluk, S.K.

    1999-01-01

    The spermatophore transferred by male decorated crickets (Gryllodes sigillatus) at mating includes a large gelatinous spermatophylax that the female consumes after copulation. Although previous studies have shown that G. sigillatus females gain no nutritional benefits from consuming food gifts, there may be other benefits to their consumption. We examined potential hydration benefits to females by experimentally manipulating both the availability of water and the number of food gifts that fem...

  10. Serrano charged up for hydrates battle

    Energy Technology Data Exchange (ETDEWEB)

    Flatern, R. von

    2001-07-01

    The plugging of pipelines by paraffin and hydrate formations is an obstacle still to be overcome in the transportation of gases in deep cold water. However, a new flow assurance technique is soon to be installed in Shell's Serrano and Oregano fields in the Gulf of Mexico and this is expected to eventually impact on the entire offshore industry: it is this development which is discussed. The system uses electricity to heat the pipelines.

  11. Hydration structure of poly(2-methoxyethyl acrylate): comparison with a 2-methoxyethyl acetate model monomer.

    Science.gov (United States)

    Morita, Shigeaki; Tanaka, Masaru; Kitagawa, Kuniyuki; Ozaki, Yukihiro

    2010-01-01

    We have previously reported the hydration structure of a poly(2-methoxyethyl acrylate) (PMEA) antithrombogenic material. In the present study, the hydration structure of a 2-methoxyethyl acetate (MEAc) model monomer for PMEA was explored by means of attenuated total reflection infrared (ATR-IR) spectroscopy and differential scanning calorimetry (DSC). Water in MEAc does not show an evidence for cold crystallization by DSC, while it was found by ATR-IR spectroscopy that MEAc has a hydration structure similar to that of PMEA at a functional group level. Three different types of hydrated water, tightly bound water, loosely bound water and scarcely bound water, were identified in MEAc, as well as PMEA. It was suggested from the present study that the localized and concentrated water cluster having the three types of hydration structure on the surface of PMEA plays an important role in the biocompatibility. PMID:20566058

  12. 钻井液侵入海洋含水合物地层的一维数值模拟研究%Invasion of water-based drilling mud into oceanic gas-hydrate-bearing sediment:One-dimensional numerical simulations

    Institute of Scientific and Technical Information of China (English)

    宁伏龙; 张可霓; 吴能友; 蒋国盛; 张凌; 刘力; 余义兵

    2013-01-01

    mud invasion into oceanic gas hydrate bearing sediments (GHBS) by taking hydrate reservoirs in the Gulf of Mexico as a case. Compared with the conventional oil/gas-bearing sediments, hydrate dissociation and reformation are the main characteristics of mud invasion in GHBS when the invasion condition is in an unstable region of gas hydrates phase diagram. The simulation results show that the density (I. E. , corresponding pressure), temperature, and salt content of drilling fluids have great effects on the process of drilling fluid invasion. When the temperature and salt content of drilling fluids are constants, the higher the density of the drilling fluid is, the greater degree of invasion and hydrate dissociation are. The increased pore pressure caused by the mud invasion, endothermic cooling with hydrate dissociation compounded by the Joule-Thompson effect and lagged effect of heat transfer in sediments, together make water and gas forming secondary hydrates. The secondary hydrate together with existing hydrate probably makes the hydrate saturation higher than original hydrate saturation. This high saturation hydrate ring could be attributed to the displacement effect of mud invasion and the permeability reduction because of secondary hydrates forming. Under the same temperature and pressure of drilling fluids, the higher the salt concentration of the drilling fluid, the faster rate and greater degree of hydrate dissociation due to the stronger thermodynamic inhibition effect and heat transfer efficiency. The occurrence of high-saturation hydrate girdle band seems to mainly depend on the temperature and salinity of drilling fluids. The dissociated free gas, the dilution of water salinity associated with hydrate dissociation and the occurrence of high saturation hydrate ring probably cause the calculated hydrate saturation based on well logging is higher than that of actual hydrate-bearing sediments. Our simulations suggest that in order to keep wellbore stability

  13. Hydration Energies of Protonated and Sodiated Thiouracils

    Science.gov (United States)

    Wincel, Henryk

    2014-12-01

    Hydration reactions of protonated and sodiated thiouracils (2-thiouracil, 6-methyl-2-thiouracil, and 4-thiouracil) generated by electrospray ionization have been studied in a gas phase at 10 mbar using a pulsed ion-beam high-pressure mass spectrometer. The thermochemical data, ΔH o n, ΔS o n, and ΔG o n, for the hydrated systems were obtained by equilibrium measurements. The water binding energies of protonated thiouracils, [2SU]H+ and [6Me2SU]H+, were found to be of the order of 51 kJ/mol for the first, and 46 kJ/mol for the second water molecule. For [4SU]H+, these values are 3-4 kJ/mol lower. For sodiated complexes, these energies are similar for all studied systems, and varied between 62 and 68 kJ/mol for the first and between 48 and 51 kJ/mol for the second water molecule. The structural aspects of the precursors for hydrated complexes are discussed in conjunction with available literature data.

  14. Estimating the Aqueous Solubility of Pharmaceutical Hydrates.

    Science.gov (United States)

    Franklin, Stephen J; Younis, Usir S; Myrdal, Paul B

    2016-06-01

    Estimation of crystalline solute solubility is well documented throughout the literature. However, the anhydrous crystal form is typically considered with these models, which is not always the most stable crystal form in water. In this study, an equation which predicts the aqueous solubility of a hydrate is presented. This research attempts to extend the utility of the ideal solubility equation by incorporating desolvation energetics of the hydrated crystal. Similar to the ideal solubility equation, which accounts for the energetics of melting, this model approximates the energy of dehydration to the entropy of vaporization for water. Aqueous solubilities, dehydration and melting temperatures, and log P values were collected experimentally and from the literature. The data set includes different hydrate types and a range of log P values. Three models are evaluated, the most accurate model approximates the entropy of dehydration (ΔSd) by the entropy of vaporization (ΔSvap) for water, and utilizes onset dehydration and melting temperatures in combination with log P. With this model, the average absolute error for the prediction of solubility of 14 compounds was 0.32 log units. PMID:27238488

  15. Hydrate Monitoring using Capacitive Sensors

    OpenAIRE

    Bayati, Zahra

    2013-01-01

    Gas hydrates are of particular interest in petroleum industry since their formation during oil-production can be a major risk factor. Gas hydrates can block pipelines, interrupt production, and in worst case even cause bursting flow lines. There are a few strategies available to monitor the hydrocarbon flow in pipelines in order to give an early warning system against hydrate formation. A potential technique is to monitor changes in the dielectric properties of the flow, and relate these to h...

  16. The hydration structure of DNA and proteins

    International Nuclear Information System (INIS)

    Water-soluble proteins are surrounded by water molecules, and the water molecules mediate the biological processes: i.e. the protein folding, the enzymatic reaction, the molecular recognition via hydrogen bonds, electrostatic interactions and van der Waals interactions. It is essential to know the structural information such as orientation and dynamical behavior of water molecules including hydrogen atoms in order to characterize these interactions. The neutron analysis can determine the positions of the hydrogen atoms at the medium resolution in the protein crystallography (dmin∼2.0 A). Recently we have constructed the high-resolution neutron diffractometer (BIX) dedicated for the biological macromolecules. By using this diffractometer, the high resolution (1.5 or 1.6A) neutron structure analyses of sperm whale myoglobin, a wild-type rubredoxin from Pyrococcus furiosus, and the rubredoxin mutant have been successfully carried out and their hydration structure including hydrogen atoms have been observed. Hydrogen atoms in the water molecule can be clearly identified in two boomerang-shaped water molecules and the forming of the hydrogen bonds between the two water molecules can be recognized well. It has been concluded that hydration structure observed by the high resolution neutron protein crystallography provides where a water molecule locates, and how it binds to the neighbor atoms, and how it behaves. (M.Suetake)

  17. Effects of ensembles on methane hydrate nucleation kinetics.

    Science.gov (United States)

    Zhang, Zhengcai; Liu, Chan-Juan; Walsh, Matthew R; Guo, Guang-Jun

    2016-06-21

    By performing molecular dynamics simulations to form a hydrate with a methane nano-bubble in liquid water at 250 K and 50 MPa, we report how different ensembles, such as the NPT, NVT, and NVE ensembles, affect the nucleation kinetics of the methane hydrate. The nucleation trajectories are monitored using the face-saturated incomplete cage analysis (FSICA) and the mutually coordinated guest (MCG) order parameter (OP). The nucleation rate and the critical nucleus are obtained using the mean first-passage time (MFPT) method based on the FS cages and the MCG-1 OPs, respectively. The fitting results of MFPT show that hydrate nucleation and growth are coupled together, consistent with the cage adsorption hypothesis which emphasizes that the cage adsorption of methane is a mechanism for both hydrate nucleation and growth. For the three different ensembles, the hydrate nucleation rate is quantitatively ordered as follows: NPT > NVT > NVE, while the sequence of hydrate crystallinity is exactly reversed. However, the largest size of the critical nucleus appears in the NVT ensemble, rather than in the NVE ensemble. These results are helpful for choosing a suitable ensemble when to study hydrate formation via computer simulations, and emphasize the importance of the order degree of the critical nucleus. PMID:27222203

  18. Determination of hydration film thickness using atomic force microscopy

    Institute of Scientific and Technical Information of China (English)

    PENG Changsheng; SONG Shaoxian; GU Qingbao

    2005-01-01

    Dispersion of a solid particle in water may lead to the formation of hydration film on the particle surface, which can strongly increase the repulsive force between the particles and thus strongly affect the stability of dispersions. The hydration film thickness, which varies with the variation of property of suspension particles, is one of the most important parameters of hydration film, and is also one of the most difficult parameters that can be measured accurately. In this paper, a method, based on force-distance curve of atomic force microscopy, for determining the hydration film thickness of particles is developed. The method utilizes the difference of cantilever deflection before, between and after penetrating the hydration films between tip and sample, which reflect the difference of slope on the force-distance curve. 3 samples, mica, glass and stainless steel, were used for hydration thickness determination, and the results show that the hydration film thickness between silicon tip and mica, glass and stainless steel are 30.0(2.0, 29.0(1.0 and 32.5(2.5 nm, respectively.

  19. Collective dynamics of hydrated β-lactoglobulin by inelastic x-ray scattering.

    Science.gov (United States)

    Yoshida, Koji; Hosokawa, Shinya; Baron, Alfred Q R; Yamaguchi, Toshio

    2010-10-01

    Inelastic x-ray scattering measurements of hydrated β-lactoglobulin (β-lg) were performed to investigate the collective dynamics of hydration water and hydrated protein on a picosecond time scale. Samples with different hydration levels h [=mass of water (g)/mass of protein (g)] of 0 (dry), 0.5, and 1.0 were measured at ambient temperature. The observed dynamical structure factor S(Q,ω)/S(Q) was analyzed by a model composed of a Lorentzian for the central peak and a damped harmonic oscillator (DHO) for the side peak. The dispersion relation between the excitation energy in the DHO model and the momentum transfer Q was obtained for the hydrated β-lg at both hydration levels, but no DHO excitation was found for the dry β-lg. The high-frequency sound velocity was similar to that previously observed in pure water. The ratio of the high-frequency sound velocity of hydrated β-lg to the adiabatic one of hydrated lysozyme (h=0.41) was estimated as ∼1.6 for h=0.5. The value is significantly smaller than that (∼2) of pure water that has the tetrahedral network structure. The present finding thus suggests that the tetrahedral network structure of water around the β-lg is partially disrupted by the perturbation from protein surface. These results are consistent with those reported from Brillouin neutron spectroscopy and molecular dynamics simulation studies of hydrated ribonuclease A. PMID:20942540

  20. Study on molecular controlled mining system of methane hydrate; Methane hydrate no bunshi seigyo mining ni kansuru kenkyu

    Energy Technology Data Exchange (ETDEWEB)

    Kuriyagawa, M.; Saito, T.; Kobayashi, H.; Karasawa, H.; Kiyono , F.; Nagaoki, R.; Yamamoto, Y.; Komai, T.; Haneda, H.; Takahashi, Y. [National Institute for Resources and Environment, Tsukuba (Japan); Nada, H. [Science and Technology Agency, Tokyo (Japan)

    1997-02-01

    Basic studies are conducted for the collection of methane from the methane hydrate that exists at levels deeper than 500m in the sea. The relationship between the hydrate generation mechanism and water cluster structure is examined by use of mass spectronomy. It is found that, among the stable liquid phase clusters, the (H2O)21H{sup +} cluster is the most stable. Stable hydrate clusters are in presence in quantities, and participate in the formation of hydrate crystal nuclei. For the elucidation of the nucleus formation mechanism, a kinetic simulation is conducted of molecules in the cohesion system consisting of water and methane molecules. Water molecules that array near methane molecules at the normal pressure is disarrayed under a higher pressure for rearray into a hydrate structure. Hydrate formation and breakdown in the three-phase equilibrium state of H2O, CH4, and CO2 at a low temperature and high pressure are tested, which discloses that supercooling is required for formation, that it is possible to extract CH4 first for replacement by guest molecule CO2 since CO2 is stabler than CH4 at a lower pressure or higher temperature, and that formation is easier to take place when the grain diameter is larger at the formation point since larger grain diameters result in a higher formation temperature. 3 figs.