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Sample records for solute molar volume

  1. Polarization and molar volumes of ortho- and para-deuterium solutions

    International Nuclear Information System (INIS)

    Milenko, Yu.Ya.; Sibileva, R.M.

    1976-01-01

    The dielectric constant of liquid solutions of ortho-and para-deuterium is measured over the range of 2.2-91% p-D 2 from 18.7 to 20.4deg K. Data on polarization and molar volumes are obtained for the whole (0-100%) concentration range. Corrected summary to paper [2] is also listed: dielectric constant of ortho- and para-hydrogen liquid solution is measured within a concentration range of 0-97% of o-molecules at 14-20.4deg K. It is established that dependence of the Clausius-Mossotti function for o-p-hydrogen solutions of o-p-composition is linear. Molar volumes of the o-p-mixtures are calculated. The excessive molar volumes are found, positive deviation from additivity, 0.15% is established

  2. The partial molar volume of BeSO4 in aqueous solutions

    International Nuclear Information System (INIS)

    Kuschel, F.; Seidel, J.

    1981-01-01

    The density of aqueous solutions of BeSO 4 has been measured as a function of the mole fraction in the range of 0.02487 x 10 -2 to 6.3082 x 10 -2 . From the results obtained the molar volume and partial molar volume have been calculated and the limiting value of the partial molar volume for Be 2+ was extrapolated in accordance with the Debye-Hueckel law

  3. Partial molar volumes and partial molar adiabatic compressibilities of a short chain perfluorosurfactant: Sodium heptafluorobutyrate in aqueous solutions at different temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Blanco, Elena [Group of Biophysics and Interfaces, Department of Applied Physics, Faculty of Physics, University of Santiago de Compostela, E-15782 Santiago de Compostela (Spain); Ruso, Juan M. [Group of Biophysics and Interfaces, Department of Applied Physics, Faculty of Physics, University of Santiago de Compostela, E-15782 Santiago de Compostela (Spain)]. E-mail: faruso@usc.es; Prieto, Gerardo [Group of Biophysics and Interfaces, Department of Applied Physics, Faculty of Physics, University of Santiago de Compostela, E-15782 Santiago de Compostela (Spain); Sarmiento, Felix [Group of Biophysics and Interfaces, Department of Applied Physics, Faculty of Physics, University of Santiago de Compostela, E-15782 Santiago de Compostela (Spain)

    2005-12-15

    Density and ultrasound measurements of sodium heptafluorobutyrate in aqueous solutions at T = (283.15, 288.15, 293.15, 298.15, 303.15, 308.15, 313.15, 318.15, and 323.15) K have been obtained. From these results partial molar volumes and isentropic partial molar adiabatic compressibilities were calculated. Deviations from the Debye-Hueckel limiting law provide evidence for limited association at lower concentrations. The change of the partial molar volume and isentropic partial molar adiabatic compressibility upon aggregation was calculated. Variations of the change of partial molar volumes and isentropic partial molar adiabatic compressibility upon aggregation are discussed in terms of temperature.

  4. Partial molar volumes and partial molar adiabatic compressibilities of a short chain perfluorosurfactant: Sodium heptafluorobutyrate in aqueous solutions at different temperatures

    International Nuclear Information System (INIS)

    Blanco, Elena; Ruso, Juan M.; Prieto, Gerardo; Sarmiento, Felix

    2005-01-01

    Density and ultrasound measurements of sodium heptafluorobutyrate in aqueous solutions at T = (283.15, 288.15, 293.15, 298.15, 303.15, 308.15, 313.15, 318.15, and 323.15) K have been obtained. From these results partial molar volumes and isentropic partial molar adiabatic compressibilities were calculated. Deviations from the Debye-Hueckel limiting law provide evidence for limited association at lower concentrations. The change of the partial molar volume and isentropic partial molar adiabatic compressibility upon aggregation was calculated. Variations of the change of partial molar volumes and isentropic partial molar adiabatic compressibility upon aggregation are discussed in terms of temperature

  5. Partial molar volume of anionic polyelectrolytes in aqueous solution.

    Science.gov (United States)

    Salamanca, Constain; Contreras, Martín; Gamboa, Consuelo

    2007-05-15

    In this work the partial molar volumes (V) of different anionic polyelectrolytes and hydrophobically modified polyelectrolytes (PHM) were measured. Polymers like polymaleic acid-co-styrene, polymaleic acid-co-1-olefin, polymaleic acid-co-vinyl-2-pyrrolidone, and polyacrylic acid (abbreviated as MAS-n, PA-n-K2, AMVP, and PAA, respectively) were employed. These materials were investigated by density measurements in highly dilute aqueous solutions. The molar volume results allow us to discuss the effect of the carboxylic groups and the contributions from the comonomeric principal chain. The PAA presents the smaller V, while the largest V value was for AMVP. The V of PHM shows a linear relationship with the number of methylene groups in the lateral chain. It is found that the magnitude of the contribution per methylene group decreases as the hydrophobic character of the environment increases.

  6. Note: Nonpolar solute partial molar volume response to attractive interactions with water

    Energy Technology Data Exchange (ETDEWEB)

    Williams, Steven M.; Ashbaugh, Henry S., E-mail: hanka@tulane.edu [Department of Chemical and Biomolecular Engineering, Tulane University, New Orleans, Louisiana 70118 (United States)

    2014-01-07

    The impact of attractive interactions on the partial molar volumes of methane-like solutes in water is characterized using molecular simulations. Attractions account for a significant 20% volume drop between a repulsive Weeks-Chandler-Andersen and full Lennard-Jones description of methane interactions. The response of the volume to interaction perturbations is characterized by linear fits to our simulations and a rigorous statistical thermodynamic expression for the derivative of the volume to increasing attractions. While a weak non-linear response is observed, an average effective slope accurately captures the volume decrease. This response, however, is anticipated to become more non-linear with increasing solute size.

  7. Note: Nonpolar solute partial molar volume response to attractive interactions with water.

    Science.gov (United States)

    Williams, Steven M; Ashbaugh, Henry S

    2014-01-07

    The impact of attractive interactions on the partial molar volumes of methane-like solutes in water is characterized using molecular simulations. Attractions account for a significant 20% volume drop between a repulsive Weeks-Chandler-Andersen and full Lennard-Jones description of methane interactions. The response of the volume to interaction perturbations is characterized by linear fits to our simulations and a rigorous statistical thermodynamic expression for the derivative of the volume to increasing attractions. While a weak non-linear response is observed, an average effective slope accurately captures the volume decrease. This response, however, is anticipated to become more non-linear with increasing solute size.

  8. Partial and apparent molar volumes of aqueous solutions of the 1:1 type electrolytes

    International Nuclear Information System (INIS)

    Klugman, I.Yu.

    2002-01-01

    Formulas for calculating partial and apparent molar volumes of MX (M=Li-Cs; X = Cl-I) electrolyte aqueous solutions in a wide range of concentrations from 0 to 4 mol/kg with error not in excess of 0.05% are suggested. It is shown that the previously employed formulas for calculating partial molar volumes of electrolytes give false indications of mutual effect of ions and actually they are fit solely for very small concentrations [ru

  9. Effect of Molecular Size of Solutes on Their Partial Molar Volumes in Supercritical n-Pentane

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The densities of n-pentane, methane-n-pentane, propane-n-pentane, n-heptane-n-pentane, and n-decane-n-pentane binary mixtures were determined at 476.5K in the pressure range from 2 to 5 MPa. The partial molar volumes of the solutes in n-pentane were calculated using the density data. It was found that the partial molar volumes of methane and propane are positive , while those of n-heptane and n-decane are negative.

  10. Parsing partial molar volumes of small molecules: a molecular dynamics study.

    Science.gov (United States)

    Patel, Nisha; Dubins, David N; Pomès, Régis; Chalikian, Tigran V

    2011-04-28

    We used molecular dynamics (MD) simulations in conjunction with the Kirkwood-Buff theory to compute the partial molar volumes for a number of small solutes of various chemical natures. We repeated our computations using modified pair potentials, first, in the absence of the Coulombic term and, second, in the absence of the Coulombic and the attractive Lennard-Jones terms. Comparison of our results with experimental data and the volumetric results of Monte Carlo simulation with hard sphere potentials and scaled particle theory-based computations led us to conclude that, for small solutes, the partial molar volume computed with the Lennard-Jones potential in the absence of the Coulombic term nearly coincides with the cavity volume. On the other hand, MD simulations carried out with the pair interaction potentials containing only the repulsive Lennard-Jones term produce unrealistically large partial molar volumes of solutes that are close to their excluded volumes. Our simulation results are in good agreement with the reported schemes for parsing partial molar volume data on small solutes. In particular, our determined interaction volumes() and the thickness of the thermal volume for individual compounds are in good agreement with empirical estimates. This work is the first computational study that supports and lends credence to the practical algorithms of parsing partial molar volume data that are currently in use for molecular interpretations of volumetric data.

  11. Apparatus to measure vapor pressure, differential vapor pressure, liquid molar volume, and compressibility of liquids and solutions to the critical point. Vapor pressures, molar volumes, and compressibilities of protiobenzene and deuteriobenzene at elevated temperatures

    International Nuclear Information System (INIS)

    Kooner, Z.S.; Van Hook, W.A.

    1986-01-01

    An apparatus designed to measure vapor pressure differences between two similar liquids, such as isotopic isomers, or between a solution and its reference solvent at temperatures and pressures extending to the critical point is described. Vapor-phase volume is minimized and pressure is transmitted to the transducer through the liquid, thereby avoiding several experimental difficulties. Liquid can be injected into the heated part of the system by volumetrically calibrated screw injectors, thus permitting measurements of liquid molar volume, compressibility, and expansivity. The addition of a high-pressure circulating pump and injection valve allows the apparatus to be employed as a continuous dilution differential vapor pressure apparatus for determining partial molar free energies of solution. In the second part of the paper data on the vapor pressure, molar volume, compressibility, and expansivity and their isotope effects for C 6 H 6 and C 6 D 6 from room temperature to near the critical temperature are reported

  12. Partial molar volumes of L-alanine, DL-serine, DL-threonine, L-histidine, glycine, and glycylglycine in water, NaCl, and DMSO aqueous solutions at T 298.15 K

    International Nuclear Information System (INIS)

    Yuan Quan; Li Zhifen; Wang Baohuai

    2006-01-01

    The apparent molar volumes of L-alanine, DL-serine, DL-threonine, L-histidine, glycine, and glycylglycine in water and in the aqueous solutions of NaCl and DMSO with various concentrations at T = 298.15 K have been measured by the precise vibrating-tube digital densimeter. The calculated partial molar volumes at infinite dilution have been used to obtain corresponding transfer volumes from water to various solutions. The experimental results show that the standard partial molar volumes of the above amino acids and peptide at the dilute DMSO aqueous solutions are very close to those in water. However, the volumes show several types of variations with the increase of the concentrations of DMSO due to different types of side chain of amino acids, which should be discussed specifically. The NaCl changes considerably the infinite dilution standard partial molar volumes of the above amino acids and peptide in the aqueous solutions. The infinite dilution standard partial molar volumes of the each amino acids and peptide increase with the concentrations of NaCl. The experimental results have been rationalized by a cosphere overlap model

  13. Partial molar volumes of proteins: amino acid side-chain contributions derived from the partial molar volumes of some tripeptides over the temperature range 10-90 degrees C.

    Science.gov (United States)

    Häckel, M; Hinz, H J; Hedwig, G R

    1999-11-15

    The partial molar volumes of tripeptides of sequence glycyl-X-glycine, where X is one of the amino acids alanine, leucine, threonine, glutamine, phenylalanine, histidine, cysteine, proline, glutamic acid, and arginine, have been determined in aqueous solution over the temperature range 10-90 degrees C using differential scanning densitometry . These data, together with those reported previously, have been used to derive the partial molar volumes of the side-chains of all 20 amino acids. The side-chain volumes are critically compared with literature values derived using partial molar volumes for alternative model compounds. The new amino acid side-chain volumes, along with that for the backbone glycyl group, were used to calculate the partial specific volumes of several proteins in aqueous solution. The results obtained are compared with those observed experimentally. The new side-chain volumes have also been used to re-determine residue volume changes upon protein folding.

  14. Densities, molar volumes, and isobaric expansivities of (d-xylose+hydrochloric acid+water) systems

    International Nuclear Information System (INIS)

    Zhang Qiufen; Yan Zhenning; Wang Jianji; Zhang Hucheng

    2006-01-01

    Densities of (d-xylose+HCl+water) have been measured at temperature in the range (278.15 to 318.15) K as a function of concentration of both d-xylose and hydrochloric acid. The densities have been used to estimate the molar volumes and isobaric expansivity of the ternary solutions. The molar volumes of the ternary solutions vary linearly with mole fraction of d-xylose. The standard partial molar volumes V 2,φ - bar for d-xylose in aqueous solutions of molality (0.2, 0.4, 0.7, 1.1, 1.6, and 2.1) mol.kg -1 HCl have been determined. In the investigated temperature range, the relation: V 2,φ - bar =c 1 +c 2 {(T/K)-273.15} 1/2 , can be used to describe the temperature dependence of the standard partial molar volumes. These results have, in conjunction with the results obtained in water, been used to deduce the standard volumes of transfer, Δ t V - bar , of d-xylose from water to aqueous HCl solutions. An increase in the transfer volume of d-xylose with increasing HCl concentrations has been explained by the stronger interactions of H + with the hydrophilic groups of d-xylose

  15. Apparent molar volumes and compressibilities of electrolytes and ions in γ-butyrolactone

    International Nuclear Information System (INIS)

    Krakowiak, Joanna; Wawer, Jarosław; Farmas, Aleksander

    2012-01-01

    Highlights: ► Density and speed of sound for salts solutions in γ-butyrolactone were measured. ► The apparent molar volumes and compressibilities have been determined. ► The limiting molar quantities are split into independent ionic contributions. ► These data are used to describe ion–solvent interactions. - Abstract: The densities of tetraphenylphosphonium bromide, sodium tetraphenylborate, lithium perchlorate, sodium perchlorate and lithium bromide in γ-butyrolactone at (288.15, 293.15, 298.15, 303.15, 308.15 and 313.15) K and speed of sound at 298.15 K have been measured. From these data apparent molar volumes V Φ at (288.15, 293.15, 298.15, 303.15, 308.15 and 313.15) K and the apparent molar isentropic compressibility K S,Φ , at T = 298.15 K of the salts have been determined. The apparent molar volumes and the apparent molar isentropic compressibilities were fitted to the Redlich, Rosenfeld and Mayer equation as well as to the Pitzer and Masson equations yielding infinite dilution data. The obtained limiting values have been used to estimate the ionic data of the standard partial molar volume and the standard partial isentropic compressibility in γ-butyrolactone solutions.

  16. Partial molar volume and isentropic compressibility of symmetrical and asymmetrical quaternary ammonium bromides in aqueous solution

    International Nuclear Information System (INIS)

    Moreno, Nicolás; Buchner, Richard; Vargas, Edgar F.

    2015-01-01

    Highlights: • Structural effects of the cations on surrounding water molecules are discussed. • Alkyl-chain geometry determines the hydration of Bu 4 N + isomers. • The “compactness” in the hydration shells varies significantly among the isomers. - Abstract: Values of apparent molar volume and isentropic compressibility of symmetric and asymmetric isomers of tetrabutylammonium bromide, namely tetra-n-butylammonium bromide, tetra-iso-butylammonium bromide, tetra-sec-butylammonium bromide, di-n-butyl-di-iso-butylammonium bromide and di-n-butyl-di-sec-butylammonium bromide, in aqueous solution were determined from density and speed of sound measurements. These properties were obtained as a function of molal concentration within the range of 0.01 < m/mol · kg −1 < 0.1 covering temperatures from 278.15 ⩽ T/K ⩽ 293.15. The partial molar volumes and the apparent isentropic molar compressibility at infinite dilution were calculated and their dependence on temperature examined. The results show that cations with sec-butyl chains have larger structural volumes compared to those with iso-butyl chains. In addition, cations with sec-butyl chains induce smaller structural changes in their hydration shell than the others

  17. Apparent molar volumes and viscosity B-coefficients of caffeine in aqueous thorium nitrate solutions at T = (298.15, 308.15, and 318.15) K

    International Nuclear Information System (INIS)

    Sinha, Biswajit; Roy, Pran Kumar; Sarkar, Bipul Kumar; Brahman, Dhiraj; Roy, Mahendra Nath

    2010-01-01

    Apparent molar volumes φ V and viscosity B-coefficients for caffeine in (0.00, 0.03, 0.05, and 0.07) mol . dm -3 aqueous thorium nitrate, Th(NO 3 ) 4 , solutions were determined from solution density and viscosity measurements over the temperature range (298.15 to 318.15) K as function of concentration of caffeine and the relation: φ V 0 =a 0 +a 1 T+a 2 T 2 , have been used to describe the temperature dependence of the standard partial molar volumes φ V 0 . These results have been used to deduce the standard volumes of transfer Δφ V 0 and viscosity B-coefficients of transfer ΔB for caffeine from water to aqueous Th(NO 3 ) 4 solutions for rationalizing various interactions in the ternary solutions. The structure-making or breaking ability of caffeine has been discussed in terms of the sign of (δ 2 φ V 0 /δT 2 ) P . The Friedman-Krishnan co-sphere model was used to explain the transfer volume of caffeine with increasing Th(NO 3 ) 4 molarity. The activation parameters of viscous flow for the ternary solutions were also discussed in terms of transition state theory.

  18. The unfolding effects on the protein hydration shell and partial molar volume: a computational study.

    Science.gov (United States)

    Del Galdo, Sara; Amadei, Andrea

    2016-10-12

    In this paper we apply the computational analysis recently proposed by our group to characterize the solvation properties of a native protein in aqueous solution, and to four model aqueous solutions of globular proteins in their unfolded states thus characterizing the protein unfolded state hydration shell and quantitatively evaluating the protein unfolded state partial molar volumes. Moreover, by using both the native and unfolded protein partial molar volumes, we obtain the corresponding variations (unfolding partial molar volumes) to be compared with the available experimental estimates. We also reconstruct the temperature and pressure dependence of the unfolding partial molar volume of Myoglobin dissecting the structural and hydration effects involved in the process.

  19. Partial molar volumes and viscosities of aqueous hippuric acid solutions containing LiCl and MnCl2 · 4H2O at 303.15 K

    Science.gov (United States)

    Deosarkar, S. D.; Tawde, P. D.; Zinjade, A. B.; Shaikh, A. I.

    2015-09-01

    Density (ρ) and viscosity (η) of aqueous hippuric acid (HA) solutions containing LiCl and MnCl2 · 4H2O have been studied at 303.15 K in order to understand volumetric and viscometric behavior of these systems. Apparent molar volume (φv) of salts were calculated from density data and fitted to Massons relation and partial molar volumes (φ{v/0}) at infinite dilution were determined. Relative viscosity data has been used to determine viscosity A and B coefficients using Jones-Dole relation. Partial molar volume and viscosity coefficients have been discussed in terms of ion-solvent interactions and overall structural fittings in solution.

  20. Partial molar volumes of organic solutes in water. XXIII. Cyclic ketones at T = (298 to 573) K and pressures up to 30 MPa

    International Nuclear Information System (INIS)

    Cibulka, Ivan; Simurka, Lukas; Hnedkovsky, Lubomir; Bolotov, Alexander

    2011-01-01

    Research highlights: → In this study we examine standard molar volumes of aqueous cyclic ketones. → State parameters of measurements were (298 to 573) K and pressures up to 30 MPa. → Differences in behavior of monoketones and cyclohexane-1,4-dione were observed. → Group contribution method was designed and examined. - Abstract: Density data for dilute aqueous solutions of four cyclic ketones (cyclopentanone, cyclohexanone, cycloheptanone, and cyclohexane-1,4-dione) are presented together with standard molar volumes (partial molar volumes at infinite dilution) calculated from the experimental data. The measurements were performed at temperatures from T = 298 K up to T = 573 K. Experimental pressures were close to the saturated vapor pressure of water, and (15 and 30) MPa. The data were obtained using a high-temperature high-pressure flow vibrating-tube densimeter. Experimental standard molar volumes were correlated as a function of temperature and pressure using an empirical polynomial function. Contributions of the molecular structural segments (methylene and carbonyl groups) to the standard molar volume were also evaluated and analyzed.

  1. Determination of partial molar volumes from free energy perturbation theory.

    Science.gov (United States)

    Vilseck, Jonah Z; Tirado-Rives, Julian; Jorgensen, William L

    2015-04-07

    Partial molar volume is an important thermodynamic property that gives insights into molecular size and intermolecular interactions in solution. Theoretical frameworks for determining the partial molar volume (V°) of a solvated molecule generally apply Scaled Particle Theory or Kirkwood-Buff theory. With the current abilities to perform long molecular dynamics and Monte Carlo simulations, more direct methods are gaining popularity, such as computing V° directly as the difference in computed volume from two simulations, one with a solute present and another without. Thermodynamically, V° can also be determined as the pressure derivative of the free energy of solvation in the limit of infinite dilution. Both approaches are considered herein with the use of free energy perturbation (FEP) calculations to compute the necessary free energies of solvation at elevated pressures. Absolute and relative partial molar volumes are computed for benzene and benzene derivatives using the OPLS-AA force field. The mean unsigned error for all molecules is 2.8 cm(3) mol(-1). The present methodology should find use in many contexts such as the development and testing of force fields for use in computer simulations of organic and biomolecular systems, as a complement to related experimental studies, and to develop a deeper understanding of solute-solvent interactions.

  2. Changes in apparent molar water volume and DKP solubility yield insights on the Hofmeister effect.

    Science.gov (United States)

    Payumo, Alexander Y; Huijon, R Michael; Mansfield, Deauna D; Belk, Laurel M; Bui, Annie K; Knight, Anne E; Eggers, Daryl K

    2011-12-15

    This study examines the properties of a 4 × 2 matrix of aqueous cations and anions at concentrations up to 8.0 M. The apparent molar water volume, as calculated by subtracting the mass and volume of the ions from the corresponding solution density, was found to exceed the molar volume of ice in many concentrated electrolyte solutions, underscoring the nonideal behavior of these systems. The solvent properties of water were also analyzed by measuring the solubility of diketopiperazine (DKP) in 2.000 M salt solutions prepared from the same ion combinations. Solution rankings for DKP solubility were found to parallel the Hofmeister series for both cations and anions, whereas molar water volume concurred with the cation series only. The results are discussed within the framework of a desolvation energy model that attributes solute-specific changes in equilibria to solute-dependent changes in the free energy of bulk water.

  3. Partial Molar Volumes of Aqua Ions from First Principles.

    Science.gov (United States)

    Wiktor, Julia; Bruneval, Fabien; Pasquarello, Alfredo

    2017-08-08

    Partial molar volumes of ions in water solution are calculated through pressures obtained from ab initio molecular dynamics simulations. The correct definition of pressure in charged systems subject to periodic boundary conditions requires access to the variation of the electrostatic potential upon a change of volume. We develop a scheme for calculating such a variation in liquid systems by setting up an interface between regions of different density. This also allows us to determine the absolute deformation potentials for the band edges of liquid water. With the properly defined pressures, we obtain partial molar volumes of a series of aqua ions in very good agreement with experimental values.

  4. Changes in Apparent Molar Water Volume and DKP Solubility Yield Insights on the Hofmeister Effect

    Science.gov (United States)

    Payumo, Alexander Y.; Huijon, R. Michael; Mansfield, Deauna D.; Belk, Laurel M.; Bui, Annie K.; Knight, Anne E.; Eggers, Daryl K.

    2011-01-01

    This study examines the properties of a 4 × 2 matrix of aqueous cations and anions at concentrations up to 8.0 M. The apparent molar water volume, as calculated by subtracting the mass and volume of the ions from the corresponding solution density, was found to exceed the molar volume of ice in many concentrated electrolyte solutions, underscoring the non-ideal behavior of these systems. The solvent properties of water were also analyzed by measuring the solubility of diketopiperazine (DKP) in 2.000 M salt solutions prepared from the same ion combinations. Solution rankings for DKP solubility were found to parallel the Hofmeister series for both cations and anions, whereas molar water volume concurred with the cation series only. The results are discussed within the framework of a desolvation energy model that attributes solute-specific changes in equilibria to solute-dependent changes in the free energy of bulk water. PMID:22029390

  5. Effect of temperature on the partial molar volume, isentropic compressibility and viscosity of DL-2-aminobutyric acid in water and in aqueous sodium chloride solutions

    International Nuclear Information System (INIS)

    Romero, Carmen M.; Rodríguez, Diana M.; Ribeiro, Ana C.F.; Esteso, Miguel A.

    2017-01-01

    Highlights: • Apparent volumes, apparent compressibilities, viscosities of DL-2-aminobutyric acid. • Effect of temperature on the values for these properties. • Hydrophobic and hydrophilic interactions and the effect of sodium chloride. - Abstract: Density, sound velocity and viscosity of DL-2-aminobutyric acid in water and in aqueous sodium chloride solutions have been measured at temperatures of (293.15, 298.15, 303.15, 308.15 and 313.15) K. The experimental results were used to determine the apparent molar volume and the apparent molar compressibility as a function of composition at these temperatures. The limiting values of both the partial molar volume and the partial molar adiabatic compressibility at infinite dilution of DL-2-aminobutyric acid in water and in aqueous sodium chloride solutions were determined at each temperature. The experimental viscosity values were adjusted by a least-squares method to a second order equation as proposed by Tsangaris-Martin to obtain the viscosity B coefficient which depends on the size, shape and charge of the solute molecule. The influence of the temperature on the behaviour of the selected properties is discussed in terms of both the solute hydration and the balance between hydrophobic and hydrophilic interactions between the acids and water, and the effect of the sodium chloride concentration.

  6. Apparent molar volumes and viscosity B-coefficients of caffeine in aqueous thorium nitrate solutions at T = (298.15, 308.15, and 318.15) K

    Energy Technology Data Exchange (ETDEWEB)

    Sinha, Biswajit, E-mail: biswachem@gmail.co [Department of Chemistry, University of North Bengal, Darjeeling 734013 (India); Roy, Pran Kumar; Sarkar, Bipul Kumar; Brahman, Dhiraj [Department of Chemistry, University of North Bengal, Darjeeling 734013 (India); Roy, Mahendra Nath, E-mail: mahendraroy2002@yahoo.co.i [Department of Chemistry, University of North Bengal, Darjeeling 734013 (India)

    2010-03-15

    Apparent molar volumes phi{sub V} and viscosity B-coefficients for caffeine in (0.00, 0.03, 0.05, and 0.07) mol . dm{sup -3} aqueous thorium nitrate, Th(NO{sub 3}){sub 4}, solutions were determined from solution density and viscosity measurements over the temperature range (298.15 to 318.15) K as function of concentration of caffeine and the relation: phi{sub V}{sup 0}=a{sub 0}+a{sub 1}T+a{sub 2}T{sup 2}, have been used to describe the temperature dependence of the standard partial molar volumes phi{sub V}{sup 0}. These results have been used to deduce the standard volumes of transfer DELTAphi{sub V}{sup 0} and viscosity B-coefficients of transfer DELTAB for caffeine from water to aqueous Th(NO{sub 3}){sub 4} solutions for rationalizing various interactions in the ternary solutions. The structure-making or breaking ability of caffeine has been discussed in terms of the sign of (delta{sup 2}phi{sub V}{sup 0}/deltaT{sup 2}){sub P}. The Friedman-Krishnan co-sphere model was used to explain the transfer volume of caffeine with increasing Th(NO{sub 3}){sub 4} molarity. The activation parameters of viscous flow for the ternary solutions were also discussed in terms of transition state theory.

  7. Molar volumes of LiI in H{sub 2}O and D{sub 2}O solutions; Structural hydration interactions

    Energy Technology Data Exchange (ETDEWEB)

    Jakli, Gy. [KFKI Atomic Energy Research Institute, P.O. Box 49, H-1525 Budapest (Hungary)], E-mail: jakli@aeki.kfki.hu

    2009-01-15

    According to a recent study of the H{sub 2}O and D{sub 2}O molar volume isotope effect (MVIE) of the alkali metal chloride solutions, neither the standard nor the excess MVIE of the LiCl corresponds to the usual hydrophilic hydration characteristics of the inorganic ions above room temperatures. This phenomenon can not be rationalized by electrostriction, with the collapse of the 'loose' tetrahedral ('ice-like') water structure due to the electrostatic (ion + dipole) interaction. It seemed possible that this unique hydration behaviour of the Li{sup +} would be stronger and could reveal further structural information with a less hydrophilic anion than the chloride. Therefore we have determined the MVIE of the LiI as a function of temperature and concentration. The densities of normal and heavy water solutions of LiI have been measured with six-figure precision at T = (288.15, 298.15, and 308.15) K from (0.03 to 4) molal, m, using a vibrating-tube densitometer. The solvent isotope effect on the apparent molar volume, as well as on the solute and solvent partial molar volumes, was evaluated. As expected, with the rationalization of the MVIE of LiI instead of the geometric structural differences of the isotopic solvents, the energetic contributions have to be considered at all the temperatures investigated. At infinite dilution, a high degree of compensation between the reversed influences of the Li{sup +} and I{sup -} on the activities of the isotopic solvents determines the MVIE. By increasing concentration, the highly asymmetric energetic interactions of the Li{sup +} and the I{sup -} with the solvent apparently result in a 'mutual salting-out' effect. At a concentration {approx}0.7m, a uniquely abrupt structural rearrangement results in a 'solvent-separated ion-pair' solution structure.

  8. Thermodynamic study of (heptane + amine) mixtures. II. Excess and partial molar volumes at 298.15 K

    International Nuclear Information System (INIS)

    Lepori, Luciano; Gianni, Paolo; Spanedda, Andrea; Matteoli, Enrico

    2011-01-01

    Research highlights: → Excess and partial molar volumes of primary (amines + heptane) mixtures. → Excess volumes are positive for small size amines and decrease as the size increases. → Group contributions to predict the partial molar volumes of amines in heptane. → The void volume is larger for branched than for linear amines in heptane. - Abstract: Excess molar volumes V E at 298.15 K were determined by means of a vibrating tube densimeter for binary mixtures of heptane + primary n-alkyl (C 3 to C 10 ) and branched amines (iso-propyl-, iso-, sec-, and tert-butyl-, iso-, tert-pentyl-, and pentan-3-amine) in the whole composition range. The apparent molar volumes of solid dodecyl- and tetradecylamine in heptane dilute solution were also determined. The V E values were found positive for mixtures involving C 3 to C 8 linear amines, with V E decreasing with chain lengthening. Heptane + nonyl and decylamine showed s-shaped, markedly asymmetric, curves. Mixtures with branched C 3 to C 5 amines displayed positive V E 's larger than those observed in the mixtures of the corresponding linear isomers. Partial molar volumes V o at infinite dilution in heptane were evaluated for the examined amines and compared with those of alkanes and alkanols taken from the literature. An additivity scheme, based on the intrinsic volume approach, was applied to estimate group (CH 3 , CH 2 , CH, C, NH 2 , and OH) contributions to V o . The effect of branching on V o and the limiting slope of the apparent excess molar volumes were evaluated and discussed in terms of solute-solvent and solute-solute interactions.

  9. Apparent molar volumes, isobaric expansion coefficients, and isentropic compressibilities, and their H/D isotope effects for some aqueous carbohydrate solutions

    International Nuclear Information System (INIS)

    Bernal, P.J.; Van Hook, W.A.

    1986-01-01

    The molar volumes, isobaric expansion coefficients, and isentropic compressibilities of solutions of a number of carbohydrates and their deuterated isomers were determined in H 2 O and D 2 O between 288.15 and 328.15 K and over a wide range of solute-to-solvent mole ratios. The results are discussed in terms of the specific hydration model. (author)

  10. Determination of partial molar volumes from free energy perturbation theory†

    Science.gov (United States)

    Vilseck, Jonah Z.; Tirado-Rives, Julian

    2016-01-01

    Partial molar volume is an important thermodynamic property that gives insights into molecular size and intermolecular interactions in solution. Theoretical frameworks for determining the partial molar volume (V°) of a solvated molecule generally apply Scaled Particle Theory or Kirkwood–Buff theory. With the current abilities to perform long molecular dynamics and Monte Carlo simulations, more direct methods are gaining popularity, such as computing V° directly as the difference in computed volume from two simulations, one with a solute present and another without. Thermodynamically, V° can also be determined as the pressure derivative of the free energy of solvation in the limit of infinite dilution. Both approaches are considered herein with the use of free energy perturbation (FEP) calculations to compute the necessary free energies of solvation at elevated pressures. Absolute and relative partial molar volumes are computed for benzene and benzene derivatives using the OPLS-AA force field. The mean unsigned error for all molecules is 2.8 cm3 mol−1. The present methodology should find use in many contexts such as the development and testing of force fields for use in computer simulations of organic and biomolecular systems, as a complement to related experimental studies, and to develop a deeper understanding of solute–solvent interactions. PMID:25589343

  11. Improved prediction of octanol-water partition coefficients from liquid-solute water solubilities and molar volumes

    Science.gov (United States)

    Chiou, C.T.; Schmedding, D.W.; Manes, M.

    2005-01-01

    A volume-fraction-based solvent-water partition model for dilute solutes, in which the partition coefficient shows a dependence on solute molar volume (V??), is adapted to predict the octanol-water partition coefficient (K ow) from the liquid or supercooled-liquid solute water solubility (Sw), or vice versa. The established correlation is tested for a wide range of industrial compounds and pesticides (e.g., halogenated aliphatic hydrocarbons, alkylbenzenes, halogenated benzenes, ethers, esters, PAHs, PCBs, organochlorines, organophosphates, carbamates, and amidesureas-triazines), which comprise a total of 215 test compounds spanning about 10 orders of magnitude in Sw and 8.5 orders of magnitude in Kow. Except for phenols and alcohols, which require special considerations of the Kow data, the correlation predicts the Kow within 0.1 log units for most compounds, much independent of the compound type or the magnitude in K ow. With reliable Sw and V data for compounds of interest, the correlation provides an effective means for either predicting the unavailable log Kow values or verifying the reliability of the reported log Kow data. ?? 2005 American Chemical Society.

  12. Densities and apparent molar volumes of aqueous LiI solutions at temperatures from (296 to 600) K and at pressures up to 30 MPa

    International Nuclear Information System (INIS)

    Abdulagatov, I.M.; Azizov, N.D.

    2004-01-01

    Densities of five aqueous LiI solutions (0.0906, 0.2832, 0.6621, 1.6046, and 3.0886) mol . kg -1 H 2 O were measured in the liquid phase with a constant-volume piezometer immersed in a precision liquid thermostat. Measurements were made along various isotherms between (296.95 and 600.25) K. The range of pressure was (0.1 to 30) MPa. The total uncertainty of density, pressure, temperature, and concentration measurements was estimated to be less than 0.06%, 0.05%, 15 mK, and 0.014%, respectively. To check and confirm the accuracy of the measurements, (p,V m ,T,x) data were taken for pure water at selected temperatures and pressures. Experimental and calculated (IAPWS formulation) densities for pure water show excellent agreement within their experimental uncertainties (average absolute deviation is 0.02%). Values of saturated densities were determined by extrapolating experimental p - ρ data to the vapour pressure at fixed temperature and composition using a linear interpolating equation. Apparent molar volumes were derived using measured values of density for solutions and pure water. The apparent molar volumes were extrapolated to zero concentration (m → 0) to yield partial molar volumes of electrolyte (LiI) at infinite dilution. The temperature, pressure, and concentration dependence of apparent and partial molar volumes was studied. The measured values of density, apparent and partial molar volume were compared with data reported in the literature by other authors. A polynomial type of equation of state for specific volume was obtained as a function of temperature, pressure, and composition by a least-squares method using the experimental data. The average absolute deviation (AAD) between measured and calculated values from this polynomial equation for density was 0.065%

  13. Apparent molar volumes and compressibilities of lanthanum, gadolinium and lutetium trifluoromethanesulfonates in dimethylsulfoxide

    International Nuclear Information System (INIS)

    Warmińska, Dorota; Wawer, Jarosław

    2012-01-01

    Highlights: ► Sequence of volumes and compressibilities of Ln 3+ ions in DMSO is: La 3+ > Gd 3+ 3+ . ► Sequence of the partial molar volumes do not change with temperature. ► These results are the consequence of nature of the ion–solvent bonding. - Abstract: Temperature dependencies of the densities of dimethylsulfoxide solutions of lanthanum, gadolinium and lutetium trifluoromethanesulfonates have been determined over a wide range of concentrations. The apparent molar volumes and partial molar volumes of the salts at infinite dilution, as well as the expansibilities of the salts, have been calculated from density data. Additionally, the apparent molar isentropic compressibilities of lanthanum, gadolinium and lutetium trifluoromethanesulfonates have been calculated from sound velocity data at 298.15 K. The data obtained have been interpreted in terms of ion−solvent interactions.

  14. Molecular representation of molar domain (volume), evolution equations, and linear constitutive relations for volume transport.

    Science.gov (United States)

    Eu, Byung Chan

    2008-09-07

    In the traditional theories of irreversible thermodynamics and fluid mechanics, the specific volume and molar volume have been interchangeably used for pure fluids, but in this work we show that they should be distinguished from each other and given distinctive statistical mechanical representations. In this paper, we present a general formula for the statistical mechanical representation of molecular domain (volume or space) by using the Voronoi volume and its mean value that may be regarded as molar domain (volume) and also the statistical mechanical representation of volume flux. By using their statistical mechanical formulas, the evolution equations of volume transport are derived from the generalized Boltzmann equation of fluids. Approximate solutions of the evolution equations of volume transport provides kinetic theory formulas for the molecular domain, the constitutive equations for molar domain (volume) and volume flux, and the dissipation of energy associated with volume transport. Together with the constitutive equation for the mean velocity of the fluid obtained in a previous paper, the evolution equations for volume transport not only shed a fresh light on, and insight into, irreversible phenomena in fluids but also can be applied to study fluid flow problems in a manner hitherto unavailable in fluid dynamics and irreversible thermodynamics. Their roles in the generalized hydrodynamics will be considered in the sequel.

  15. Thermodynamic properties of peptide solutions 20. Partial molar volumes and isothermal compressions for some tripeptides of sequence gly-X-gly (X = gly, ala, leu, asn, thr, and tyr) in aqueous solution at T = 298.15 K and p = (10–120) MPa

    International Nuclear Information System (INIS)

    Hedwig, Gavin R.; Høiland, Harald

    2016-01-01

    Highlights: • Sound speeds were measured for aqueous solutions of some tripeptides at high pressures. • Partial molar volumes and isothermal compressions were derived for T = 298.15 K and p = (10–120) MPa. • The partial molar volumes for non-polar amino acid side-chains decrease with increasing pressure. • The partial molar volumes for polar side-chains do not change significantly with increasing pressure. - Abstract: Sound speeds have been measured for aqueous solutions of six tripeptides of sequence glycyl-X-glycine, where X is one of the amino acids glycine, alanine, leucine, asparagine, threonine, and tyrosine at T = 298.15 K and at the pressures p = (10, 20, 40, 60, 80, 100, and 120) MPa. Using methods described in previous work, these sound speeds were used to derive the partial molar volumes at infinite dilution, V_2"o, the partial molar isentropic compressions at infinite dilution, K_S_,_2"o, and the partial molar isothermal compressions at infinite dilution, K"o_T_,_2 {K"o_T_,_2 = −(∂V_2"o/∂p)_T}, for the tripeptides in aqueous solution at the elevated pressures. The results were used to calculate the partial molar volumes and partial molar isothermal compressions for the various amino acid side-chains over the pressure range p = (10–120) MPa.

  16. Partial molar volume of mefenamic acid in alcohol at temperatures between T=293.15 and T=313.15 K

    OpenAIRE

    Iqbal, Muhammad J.; Siddiquah, Mahrukh

    2006-01-01

    Apparent molar volume (Vphi), partial molar volume (V), solute-solute interaction parameter (Sv), partial molar expansivity (E(0)2) and isobaric thermal expansion coefficient (alpha2) of mefenamic acid in six different organic solvents namely, methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, and 2-butanol, have been calculated from the measured solution densities over a temperature range of T=293.15 and T=313.15±0.1K. The solution densities were measured by an automated vibrating tube de...

  17. Partial molar volumes of organic solutes in water. XXIV. Selected alkane-α,ω-diols at temperatures T = 298 K to 573 K and pressures up to 30 MPa

    International Nuclear Information System (INIS)

    Cibulka, Ivan; Hnědkovský, Lubomír

    2013-01-01

    Highlights: • Standard molar volumes of three alkane-α,ω-diols (C 5 , C 8 , C 9 ) in water are presented. • Data were obtained in the range T from (298 to 573) K and p up to 30 MPa. • Dependences on carbon atom number, temperature, and pressure are analysed. -- Abstract: Density data for dilute aqueous solutions of three alkane-α,ω-diols (pentane-1,5-diol, octane-1,8-diol, nonane-1,9-diol) are presented together with standard molar volumes (partial molar volumes at infinite dilution) calculated from the experimental data. The measurements were performed at temperatures from T = 298 K up to T = 573 K. Experimental pressures were slightly above the saturation vapour pressure of water, and (15 and 30) MPa. The data were obtained using a high-temperature high-pressure flow vibrating-tube densimeter. Measured standard molar volumes were combined with data previously published for other members of the homologous series and discussed. Experimental standard molar volumes were correlated as a function of temperature and pressure using an empirical polynomial function. Dependences of standard molar volumes on temperature and pressure were analysed. Contributions of the methylene group to the standard molar volume were also evaluated and discussed

  18. Partial Molar Volumes of 15-Crown-5 Ether in Mixtures of N,N-Dimethylformamide with Water.

    Science.gov (United States)

    Tyczyńska, Magdalena; Jóźwiak, Małgorzata

    2014-01-01

    The density of 15-crown-5 ether (15C5) solutions in the mixtures of N,N -dimethylformamide (DMF) and water (H 2 O) was measured within the temperature range 293.15-308.15 K using an Anton Paar oscillatory U-tube densimeter. The results were used to calculate the apparent molar volumes ( V Φ ) of 15C5 in the mixtures of DMF + H 2 O over the whole concentration range. Using the apparent molar volumes and Redlich and Mayer equation, the standard partial molar volumes of 15-crown-5 were calculated at infinite dilution ([Formula: see text]). The limiting apparent molar expansibilities ( α ) were also calculated. The data are discussed from the point of view of the effect of concentration changes on interactions in solution.

  19. Excess molar volumes and partial molar volumes for (propionitrile + an alkanol) at T = 298.15 K and p = 0.1 MPa

    International Nuclear Information System (INIS)

    Deenadayalu, N.; Bhujrajh, P.

    2006-01-01

    The excess molar volumes and the partial molar volumes for (propionitrile + an alkanol) at T = 298.15 K and at atmospheric pressure are reported. The hydrogen bonding between the OH133;NC groups are discussed in terms of the chain length of the alkanol. The alkanols studied are (methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, and 1-pentanol). The excess molar volume data was fitted to the Redlich-Kister equation The partial molar volumes were calculated from the Redlich-Kister coefficients

  20. Partial molar volumes of organic solutes in water. XXVI. 15-Crown-5 and 18-crown-6 ethers at temperatures (298 to 573) K and pressures up to 30 MPa

    International Nuclear Information System (INIS)

    Cibulka, Ivan

    2015-01-01

    Highlights: • Density data were obtained in the range T from (298 to 573) K and p up to 30 MPa. • Standard molar volumes of two crown ethers in water are presented. • Group contribution method was designed to estimate standard molar volumes of cyclic ethers. - Abstract: Densities of dilute aqueous solutions of two cyclic ethers, viz. 15-crown-5 and 18-crown-6, measured over the temperature range from (298 to 573) K and at pressures up to 30 MPa using an automated flow vibrating-tube densimeter are reported. Standard molar volumes were evaluated from the measured data. Present data were combined with those obtained previously for several cyclic ethers and predictions of standard molar volumes based on group contribution approach were tested and analysed

  1. Apparent and partial molar volumes of long-chain alkyldimethylbenzylammonium chlorides and bromides in aqueous solutions at T=15 deg. C and T=25 deg. C

    International Nuclear Information System (INIS)

    Gonzalez-Perez, A.; Ruso, J.M.; Nimo, J.; Rodriguez, J.R.

    2003-01-01

    Density measurements of dodecyl- (C 12 DBACl), tetradecyl- (C 14 DBACl), hexadecyldimethylbenzylammonium chloride (C 16 DBACl) and of decyl- (C 10 DBABr) and dodecyldimethylbenzylammonium bromide (C 12 DBABr) in aqueous solutions at T=15 deg. C and T=25 deg. C have been carried out. From these results, apparent and partial molar volumes were calculated. Positive deviations from the Debye-Hueckel limiting law provide evidence for limited association at concentrations below the critical micelle concentration. The change of the apparent molar volume upon micellization was calculated. The relevant parameters have been presented in function of the alkyl chain length. Apparent molar volumes of the present compounds in the micellar phase, V phi m , and the change upon micellization, ΔV phi m , have been discussed in terms of temperature and type of counterion

  2. Densities and apparent molar volumes for aqueous solutions of HNO3-UO2(NO3)2 at 298.15 K

    International Nuclear Information System (INIS)

    Yang-Xin Yu; Tie-Zhu Bao; Guang-Hua Gao; Yi-Gui Li

    1999-01-01

    In order to obtain the exact information of atomic number density in the ternary system of HNO 3 -UO 2 (NO 3 ) 2 -H 2 O, the densities were measured with an Anton-Paar DMA60/602 digital density meter thermostated at 298.15±0.01 K. The apparent molal volumes for the systems were calculated from the experimental data. The present measured apparent molar volumes have been fitted to the Pitzer ion-interaction model, which provides an adequate representation of the experimental data for mixed aqueous electrolyte solutions up to 6.2 mol/kg ionic strength. This fit yields θ V , and Ψ V , which are the first derivatives with respect to pressure of the mixing interaction parameters for the excess free energy. With the mixing parameters θ V , and ψ V , the densities and apparent molar volumes of the ternary system studied in this work can be calculated with good accuracy, as shown by the standard deviations. (author)

  3. To the issue of temperature-dependent behavior of standard molar volumes of components in the binary system (water + tetrahydrofuran) at ambient pressure

    International Nuclear Information System (INIS)

    Ivanov, Evgeniy V.

    2014-01-01

    Graphical abstract: The standard molar volume of tetrahydrofuran (THF) in water, V THF ∘ (■), is a close-to-linear function of temperature and becomes increasingly appreciable with rising of the latter. Herewith the molar volume of pure THF, V THF (□), is retained to be larger, as compared to V THF ∘ , over all the temperature range studied. - Highlights: • Densities of aqueous THF at nine temperatures from (278.15 to 318.15) K were measured. • Temperature-dependent standard molar volumes of THF in water were calculated. • The analysis of excess standard molar volumes in the (water + THF) system was made. • The use of Redlich–Kister equation to obtain standard molar volumes is discussed. - Abstract: This report presents a comparative analysis of temperature-dependent data on density of both dilute aqueous solutions of tetrahydrofuran (THF) and dilute solutions of water in THF, as well as standard molar volumes of water or THF as a solute. For this purpose, new results on studying the volume-related properties of THF in a water-rich region at temperatures from (278.15 to 318.15) K, with a step of 5 K, and at the ambient pressure have been derived densimetrically. In discussion, some comments on previously published investigations, being related to temperature-dependent changes in the solution density and standard molar volumes of components of the system (water + THF), have been made

  4. On a relationship between molecular polarizability and partial molar volume in water.

    Science.gov (United States)

    Ratkova, Ekaterina L; Fedorov, Maxim V

    2011-12-28

    We reveal a universal relationship between molecular polarizability (a single-molecule property) and partial molar volume in water that is an ensemble property characterizing solute-solvent systems. Since both of these quantities are of the key importance to describe solvation behavior of dissolved molecular species in aqueous solutions, the obtained relationship should have a high impact in chemistry, pharmaceutical, and life sciences as well as in environments. We demonstrated that the obtained relationship between the partial molar volume in water and the molecular polarizability has in general a non-homogeneous character. We performed a detailed analysis of this relationship on a set of ~200 organic molecules from various chemical classes and revealed its fine well-organized structure. We found that this structure strongly depends on the chemical nature of the solutes and can be rationalized in terms of specific solute-solvent interactions. Efficiency and universality of the proposed approach was demonstrated on an external test set containing several dozens of polyfunctional and druglike molecules.

  5. Partial molar volumes of some drug and pro-drug substances in 1-octanol at T = 298.15 K

    International Nuclear Information System (INIS)

    Manin, Alex N.; Shmukler, Liudmila E.; Safonova, Liubov P.; Perlovich, German L.

    2010-01-01

    The article deals with measuring the densities of phenol, acetanilide, benzamide, benzoic acid, phenacetin, i-(acetylamino)-benzoic acid, i-hydroxy-benzamide, and i-acetaminophen (where i = 1, 2, 3) in 1-octanol in the wide concentration interval at T = 298.15 K. It also concerns the evaluation of apparent molar volumes and partial molar volumes at infinite dilution, V 2 0 -bar as well as comparative analysis of the free volumes per molecule in the octanolic solutions, V 2 free , and in the crystal lattices, V 2 free (cr), from the nature and position of the substitutes. Also described is the evaluation of the increments of V 2 0 -bar andV 2 free for the unsubstituted molecules and isomers and the methods to obtain partial molar volumes for various functional groups at infinite dilution in 1-octanol at T = 298.15 K. Also considered is the limiting partial molar volume of the solutes in terms of the scaled particle theory.

  6. The Voronoi volume and molecular representation of molar volume: equilibrium simple fluids.

    Science.gov (United States)

    Hunjan, Jagtar Singh; Eu, Byung Chan

    2010-04-07

    The Voronoi volume of simple fluids was previously made use of in connection with volume transport phenomena in nonequilibrium simple fluids. To investigate volume transport phenomena, it is important to develop a method to compute the Voronoi volume of fluids in nonequilibrium. In this work, as a first step to this goal, we investigate the equilibrium limit of the nonequilibrium Voronoi volume together with its attendant related molar (molal) and specific volumes. It is proved that the equilibrium Voronoi volume is equivalent to the molar (molal) volume. The latter, in turn, is proved equivalent to the specific volume. This chain of equivalences provides an alternative procedure of computing the equilibrium Voronoi volume from the molar volume/specific volume. We also show approximate methods of computing the Voronoi and molar volumes from the information on the pair correlation function. These methods may be employed for their quick estimation, but also provide some aspects of the fluid structure and its relation to the Voronoi volume. The Voronoi volume obtained from computer simulations is fitted to a function of temperature and pressure in the region above the triple point but below the critical point. Since the fitting function is given in terms of reduced variables for the Lennard-Jones (LJ) model and the kindred volumes (i.e., specific and molar volumes) are in essence equivalent to the equation of state, the formula obtained is a reduced equation state for simple fluids obeying the LJ model potential in the range of temperature and pressure examined and hence can be used for other simple fluids.

  7. Partial molar volumes of organic solutes in water. XXVII. Two aliphatic polyethers (triglyme, tetraglyme) at temperatures T = 298–573 K and pressures up to 30 MPa

    International Nuclear Information System (INIS)

    Cibulka, Ivan

    2016-01-01

    Highlights: • Standard molar volumes of two linear aliphatic polyethers in water are presented. • Data were obtained in the range T from (298 to 573) K and p up to 30 MPa. • Data combined with those obtained previously are analyzed and compared with standard molar volumes of cyclic ethers. - Abstract: Densities of dilute aqueous solutions of two linear aliphatic polyethers: 2,5,8,11-tetraoxadodecane (triethylene glycol dimethyl ether, triglyme) and 2,5,8,11,14-pentaoxapentadecane (tetraethylene glycol dimethyl ether, tetraglyme), measured in the temperature range from (298 to 573) K and at pressures up to 30 MPa using an automated flow vibrating-tube densimeter are reported. Standard molar volumes were evaluated from the measured data. The present values complement previous measurements performed for the title polyethers at atmospheric pressure in the temperature range from (278 to 343) K and extend the knowledge to temperature and pressure ranges in which the data on standard molar volumes for lower members of the homologous series (monoglyme, diglyme) are already available.

  8. Partial molar volume of n-alcohols at infinite dilution in water calculated by means of scaled particle theory.

    Science.gov (United States)

    Graziano, Giuseppe

    2006-04-07

    The partial molar volume of n-alcohols at infinite dilution in water is smaller than the molar volume in the neat liquid phase. It is shown that the formula for the partial molar volume at infinite dilution obtained from the scaled particle theory equation of state for binary hard sphere mixtures is able to reproduce in a satisfactory manner the experimental data over a large temperature range. This finding implies that the packing effects play the fundamental role in determining the partial molar volume at infinite dilution in water also for solutes, such as n-alcohols, forming H bonds with water molecules. Since the packing effects in water are largely related to the small size of its molecules, the latter feature is the ultimate cause of the decrease in partial molar volume associated with the hydrophobic effect.

  9. Partial molar volumes of some drug and pro-drug substances in 1-octanol at T = 298.15 K

    Energy Technology Data Exchange (ETDEWEB)

    Manin, Alex N.; Shmukler, Liudmila E.; Safonova, Liubov P. [Institute of Solution Chemistry, Russian Academy of Sciences, 153045 Ivanovo (Russian Federation); Perlovich, German L., E-mail: glp@isc-ras.r [Institute of Solution Chemistry, Russian Academy of Sciences, 153045 Ivanovo (Russian Federation)

    2010-03-15

    The article deals with measuring the densities of phenol, acetanilide, benzamide, benzoic acid, phenacetin, i-(acetylamino)-benzoic acid, i-hydroxy-benzamide, and i-acetaminophen (where i = 1, 2, 3) in 1-octanol in the wide concentration interval at T = 298.15 K. It also concerns the evaluation of apparent molar volumes and partial molar volumes at infinite dilution, V{sub 2}{sup 0}-bar as well as comparative analysis of the free volumes per molecule in the octanolic solutions, V{sub 2}{sup free}, and in the crystal lattices, V{sub 2}{sup free} (cr), from the nature and position of the substitutes. Also described is the evaluation of the increments of V{sub 2}{sup 0}-bar andV{sub 2}{sup free} for the unsubstituted molecules and isomers and the methods to obtain partial molar volumes for various functional groups at infinite dilution in 1-octanol at T = 298.15 K. Also considered is the limiting partial molar volume of the solutes in terms of the scaled particle theory.

  10. Oxygen from Hydrogen Peroxide. A Safe Molar Volume-Molar Mass Experiment.

    Science.gov (United States)

    Bedenbaugh, John H.; And Others

    1988-01-01

    Describes a molar volume-molar mass experiment for use in general chemistry laboratories. Gives background technical information, procedures for the titration of aqueous hydrogen peroxide with standard potassium permanganate and catalytic decomposition of hydrogen peroxide to produce oxygen, and a discussion of the results obtained in three…

  11. Densities and apparent molar volumes of HClO4(aq) and Yb(ClO4)3(aq) at elevated temperatures and pressures

    International Nuclear Information System (INIS)

    Hakin, Andrew W.; Lukacs, Michael J.; Jin Lianliu

    2004-01-01

    Relative densities have been measured for acidified aqueous solutions of ytterbium perchlorate {Yb(ClO 4 ) 3 } at approximately T=(348.15, 373.15, 398.15, and 423.15) K and p=(10.0, 20.0, and 30.0) MPa over the concentration range 0.01624≤m 2 /(mol · kg -1 ) ≤ 0.2531 using an optically coupled vibrating tube densimeter (OCVTD). Experimental apparent molar volumes have been calculated from the density measurements, and apparent molar volumes for the aqueous perchlorate salt have been calculated using Young's rule. The application of Young's rule requires apparent molar volumes for aqueous perchloric acid (HClO 4 ) solutions over extended temperature and pressure ranges. These values were calculated from densities for aqueous HClO 4 solutions that were measured using the OCVTD at the same temperatures and pressures as those used to investigate the density surface of the acidified aqueous Yb(ClO 4 ) 3 solutions. The temperature, pressure, and composition surfaces of the apparent molar volumes for Yb(ClO 4 ) 3 (aq) and HClO 4 (aq) have been modelled using Pitzer ion-interaction equations. Apparent molar volumes at infinite dilution obtained from these models have been compared to those which can be calculated using the semi-empirical Helgeson, Kirkham, and Flowers equations of state. Values for the apparent molar volume at infinite dilution of the ytterbium trivalent cation have also been calculated using simple additivity principles

  12. Excess molar volumes and isentropic compressibilities of binary

    Indian Academy of Sciences (India)

    Excess molar volumes (E) and deviation in isentropic compressibilities (s) have been investigated from the density and speed of sound measurements of six binary liquid mixtures containing -alkanes over the entire range of composition at 298.15 K. Excess molar volume exhibits inversion in sign in one binary ...

  13. Molar volume of eutectic solvents as a function of molar composition and temperature☆

    Institute of Scientific and Technical Information of China (English)

    Farouq S. Mjalli

    2016-01-01

    The conventional Rackett model for predicting liquid molar volume has been modified to cater for the effect of molar composition of the Deep Eutectic Solvents (DES). The experimental molar volume data for a group of commonly used DES has been used for optimizing the improved model. The data involved different molar compositions of each DES. The validation of the new model was performed on another set of DESs. The average relative deviation of the model on the training and validation datasets was approximately 0.1%while the Rackett model gave a relative deviation of more than 1.6%. The modified model deals with variations in DES molar com-position and temperature in a more consistent way than the original Rackett model which exhibits monotonic performance degradation as temperature moves away from reference conditions. Having the composition of the DES as a model variable enhances the practical utilization of the predicting model in diverse design and process simulation applications.

  14. Apparent molar volumes for dilute solutions of NaClO4 and [Co(en) 3](ClO4)3 in D2O and H2O at 278-318 K

    International Nuclear Information System (INIS)

    Bottomley, G.A.; Glossop, L.G.

    1981-01-01

    Apparent molar volumes for dilute solutions of NaClO 4 and [Co(en) 3 ](ClO 4 ) 3 in D 2 O and H 2 O were measured by using a dilatometry technique at 278, 298 and 318K. Comparison of limiting slopes with the Debye-Huckel predictions from the dielectric constant and compressibility of H 2 O and D 2 O is complicated by ion pairing. The apparent molar volumes for NaClO 4 were less in D 2 O than in H 2 O. The complex [Co(en) 3 ](ClO 4 ) 3 when studied in D 2 O had its amine protons exchanged by deuterium; this did not allow a direct comparison of the apparent molar volumes of the protonated complex in each solvent system, but revealed a large isotope effect. The apparent molar volumes of the [Co(en) 3 ](ClO 4 ) 3 showed a much larger temperature dependence than that of NaClO 4

  15. The molar hydrodynamic volume changes of factor VIIa due to GlycoPEGylation

    DEFF Research Database (Denmark)

    Plesner, Bitten; Westh, Peter; Hvidt, Søren

    2011-01-01

    The effects of GlycoPEGylation on the molar hydrodynamic volume of recombinant human rFVIIa were investigated using rFVIIa and two GlycoPEGylated recombinant human FVIIa derivatives, a linear 10 kDa PEG and a branched 40 kDa PEG, respectively. Molar hydrodynamic volumes were determined by capillary......, that the molar hydrodynamic volume of the conjugated protein is not just an addition of the molar hydrodynamic volume of the PEG and the protein. The molar hydrodynamic volume of the GlycoPEGylated protein is larger than the volume of its composites. These results suggest that both the linear and the branched...

  16. Apparent molar volumes and apparent molar heat capacities of dilute aqueous solutions of ethanol, 1-propanol, and 2-propanol at temperatures from 278.15 K to 393.15 K and at the pressure 0.35 MPa

    International Nuclear Information System (INIS)

    Origlia-Luster, M.L.; Woolley, E.M.

    2003-01-01

    Apparent molar volumes V phi and apparent molar heat capacities C p,phi have been determined for dilute aqueous solutions of ethanol, 1-propanol, and 2-propanol at temperatures from 278.15 K to 393.15 K and at the pressure 0.35 MPa. The molalities investigated ranged from 0.05 mol·kg -1 to 1.0 mol·kg -1 . We used a vibrating tube densimeter (DMA 512P, Anton PAAR, Austria) to determine the densities and volumetric properties. Heat capacities were obtained using a twin fixed-cell, power-compensation, differential-output, temperature-scanning calorimeter (NanoDSC 6100, Calorimetry Sciences Corporation, American Fork, UT, USA). The results were fit by regression to equations that describe the surfaces (V phi ,T,m) and (C p,phi ,T,m). Infinite dilution partial molar volumes V 2 0 and heat capacities C 0 p,2 were obtained over the range of temperatures by extrapolation of these surfaces to m=0 mol·kg -1

  17. Molar Surface Gibbs Energy of the Aqueous Solution of Ionic Liquid [C4mim][Oac

    Institute of Scientific and Technical Information of China (English)

    TONG Jing; ZHENG Xu; TONG Jian; QU Ye; LIU Lu; LI Hui

    2017-01-01

    The values of density and surface tension for aqueous solution of ionic liquid(IL) 1-butyl-3-methylimidazolium acetate([C4mim][OAc]) with various molalities were measured in the range of 288.15-318.15 K at intervals of 5 K.On the basis of thermodynamics,a semi-empirical model-molar surface Gibbs energy model of the ionic liquid solution that could be used to predict the surface tension or molar volume of solutions was put forward.The predicted values of the surface tension for aqueous [C4im][OAc] and the corresponding experimental ones were highly correlated and extremely similar.In terms of the concept of the molar Gibbs energy,a new E(o)tv(o)s equation was obtained and each parameter of the new equation has a clear physical meaning.

  18. Calculating excess volumes of binary solutions with allowance for structural differences between mixed components

    Science.gov (United States)

    Balankina, E. S.

    2016-06-01

    Analytical dependences of a volume's properties on the differences between the geometric structures of initial monosystems are obtained for binary systems simulated by a grain medium. The effect of microstructural parameter k (the ratio of volumes of molecules of mixed components) on the concentration behavior of the relative excess molar volume of different types of real binary solutions is analyzed. It is established that the contribution due to differences between the volumes of molecules and coefficients of the packing density of mixed components is ~80-100% for mutual solutions of n-alkanes and ~55-80% of the experimental value of the relative excess molar volume for water solutions of n-alcohols.

  19. A study of partial molar volumes of citric acid and tartaric acid

    Indian Academy of Sciences (India)

    Partial molar volumes of citric acid and tartaric acid have been determined in water and binary aqueous mixtures of ethanol (5, 10, 15, 20 and 25% by weight of ethanol) at different temperatures and acid concentrations from the solution density measurements. The data have been evaluated by using Masson equation and ...

  20. Measurement and COrrelation on Viscosity and Apparent Molar Volume of Ternary System for L—ascorbic Acid in Aqueous D—Glucose and Sucrose Solutions

    Institute of Scientific and Technical Information of China (English)

    赵长伟; 马沛生

    2003-01-01

    Visosities and densities at ,several temperatures from 293.15 K to 313.15K are reported for L-ascorbic acid in aqueous glucose and sucrose solutions at different concentrations.The parameters of density,Viscosity coefficient B and partial molar volume are calculated by regression.The experimental results show that densities and viscositis decrease as temperature increases at the same solute and solvent (glucose and sucrose aueous solution)concentrations,and increase with concentration of glucose and sucrose at the same solute concentration and temperature,B increases with concentration of glucose and sucrose and temaperature,L-ascorbic acid is sturcture-breaker or structure-making for the glucose and sucrose aqueous solutions ,Furthermore,the solute-solvent interactions in ternary systems of water-glucose-electrolyte and water-sucrose-electrolyte are discussed.

  1. Ionic molar volumes in methanol mixtures with acetonitrile, N,N-dimethylformamide and propylene carbonate at T = 298.15 K

    International Nuclear Information System (INIS)

    Pietrzak, A.; Piekarski, H.

    2014-01-01

    Highlights: • Densities of electrolyte solutions in methanol mixtures were measured at T = 298.15 K. • Apparent molar volumes of sodium cation and iodide anion were determined. • TPTB as a calculation method was used. • Preferential solvation of ions by organic solvents was examined. - Abstract: The densities of dilute solutions of three electrolytes (NaI, NaBPh 4 and Ph 4 PI) in methanol mixtures with propylene carbonate (PC), N,N-dimethylformamide (DMF) and acetonitrile (AN) have been measured by Anton Paar 5000 densimeter at T = 298.15 K. Apparent molar volumes, V Φ have been determined at an electrolyte concentration of 0.06 mol · kg −1 over the entire mixed solvent composition range. Single ionic apparent molar volumes of transfer, Δ t V Φ (ion) were calculated using the tetraphenylphosphonium tetraphenylborate (TPTB) assumption. The results are discussed in terms of ionic preferential solvation

  2. Densities and apparent molar volumes of HClO{sub 4}(aq) and Yb(ClO{sub 4}){sub 3}(aq) at elevated temperatures and pressures

    Energy Technology Data Exchange (ETDEWEB)

    Hakin, Andrew W. E-mail: hakin@uleth.ca; Lukacs, Michael J.; Jin Lianliu

    2004-09-01

    Relative densities have been measured for acidified aqueous solutions of ytterbium perchlorate {l_brace}Yb(ClO{sub 4}){sub 3}{r_brace} at approximately T=(348.15, 373.15, 398.15, and 423.15) K and p=(10.0, 20.0, and 30.0) MPa over the concentration range 0.01624{<=}m{sub 2}/(mol {center_dot} kg{sup -1}) {<=} 0.2531 using an optically coupled vibrating tube densimeter (OCVTD). Experimental apparent molar volumes have been calculated from the density measurements, and apparent molar volumes for the aqueous perchlorate salt have been calculated using Young's rule. The application of Young's rule requires apparent molar volumes for aqueous perchloric acid (HClO{sub 4}) solutions over extended temperature and pressure ranges. These values were calculated from densities for aqueous HClO{sub 4} solutions that were measured using the OCVTD at the same temperatures and pressures as those used to investigate the density surface of the acidified aqueous Yb(ClO{sub 4}){sub 3} solutions. The temperature, pressure, and composition surfaces of the apparent molar volumes for Yb(ClO{sub 4}){sub 3}(aq) and HClO{sub 4}(aq) have been modelled using Pitzer ion-interaction equations. Apparent molar volumes at infinite dilution obtained from these models have been compared to those which can be calculated using the semi-empirical Helgeson, Kirkham, and Flowers equations of state. Values for the apparent molar volume at infinite dilution of the ytterbium trivalent cation have also been calculated using simple additivity principles.

  3. Molar concentration-depth profiles at the solution surface of a cationic surfactant reconstructed with angle resolved X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Wang Chuangye; Morgner, Harald

    2011-01-01

    In the current work, we first reconstructed the molar fraction-depth profiles of cation and anion near the surface of tetrabutylammonium iodide dissolved in formamide by a refined calculation procedure, based on angle resolved X-ray photoelectron spectroscopy experiments. In this calculation procedure, both the transmission functions of the core levels and the inelastic mean free paths of the photoelectrons have been taken into account. We have evaluated the partial molar volumes of surfactant and solvent by the densities of such solutions with different bulk concentrations. With those partial molar volumes, the molar concentration-depth profiles of tetrabutylammonium ion and iodide ion were determined. The surface excesses of both surfactant ions were then achieved directly by integrating these depth profiles. The anionic molar concentration-depth profiles and surface excesses have been compared with their counterparts determined by neutral impact ion scattering spectroscopy. The comparisons exhibit good agreements. Being capable of determining molar concentration-depth profiles of surfactant ions by core levels with different kinetic energies may extend the applicable range of ARXPS in investigating solution surfaces.

  4. Apparent molar volumes and apparent molar heat capacities of Pr(NO3)3(aq), Gd(NO3)3(aq), Ho(NO3)3(aq), and Y(NO3)3(aq) at T (288.15, 298.15, 313.15, and 328.15) K and p = 0.1 MPa

    International Nuclear Information System (INIS)

    Hakin, Andrew W.; Liu Jinlian; Erickson, Kristy; Munoz, Julie-Vanessa; Rard, Joseph A.

    2005-01-01

    Relative densities and relative massic heat capacities have been measured for acidified solutions of Y(NO 3 ) 3 (aq), Pr(NO 3 ) 3 (aq), and Gd(NO 3 ) 3 (aq) at T = (288.15, 298.15, 313.15, and 328.15) K and p = 0.1 MPa. In addition, relative densities and massic heat capacities have been measured at the same temperatures and pressure for Y(NO 3 ) 3 (aq) and Ho(NO 3 ) 3 (aq) solutions without excess acid (n.b. measurements at T = 328.15 K for Ho(NO 3 ) 3 (aq) were not performed due to the limited volume of solution available). Apparent molar volumes and apparent molar heat capacities for the aqueous salt solutions have been calculated from the experimental apparent molar properties of the acidified solutions using Young's rule, whereas the apparent molar properties of the solutions without excess acid were calculated directly from the measured densities and massic heat capacities. The two sets of data for the Y(NO 3 ) 3 (aq) systems provide a check of the internal consistency of the Young's rule approach we have utilised. The concentration dependences of the apparent molar volumes and heat capacities of the aqueous salt solutions have been modelled at each investigated temperature using the Pitzer ion interaction equations to yield apparent molar properties at infinite dilution. Complex formation within the aqueous rare earth nitrate systems is discussed qualitatively by probing the concentration dependence of apparent molar volumes and heat capacities. In spite of the complex formation in the aqueous rare earth nitrate systems, there is a high degree of self-consistency between the apparent molar volumes and heat capacities at infinite dilution reported in this manuscript and those previously reported for aqueous rare earth perchlorates

  5. Glass Transition Temperature of Saccharide Aqueous Solutions Estimated with the Free Volume/Percolation Model.

    Science.gov (United States)

    Constantin, Julian Gelman; Schneider, Matthias; Corti, Horacio R

    2016-06-09

    The glass transition temperature of trehalose, sucrose, glucose, and fructose aqueous solutions has been predicted as a function of the water content by using the free volume/percolation model (FVPM). This model only requires the molar volume of water in the liquid and supercooled regimes, the molar volumes of the hypothetical pure liquid sugars at temperatures below their pure glass transition temperatures, and the molar volumes of the mixtures at the glass transition temperature. The model is simplified by assuming that the excess thermal expansion coefficient is negligible for saccharide-water mixtures, and this ideal FVPM becomes identical to the Gordon-Taylor model. It was found that the behavior of the water molar volume in trehalose-water mixtures at low temperatures can be obtained by assuming that the FVPM holds for this mixture. The temperature dependence of the water molar volume in the supercooled region of interest seems to be compatible with the recent hypothesis on the existence of two structure of liquid water, being the high density liquid water the state of water in the sugar solutions. The idealized FVPM describes the measured glass transition temperature of sucrose, glucose, and fructose aqueous solutions, with much better accuracy than both the Gordon-Taylor model based on an empirical kGT constant dependent on the saccharide glass transition temperature and the Couchman-Karasz model using experimental heat capacity changes of the components at the glass transition temperature. Thus, FVPM seems to be an excellent tool to predict the glass transition temperature of other aqueous saccharides and polyols solutions by resorting to volumetric information easily available.

  6. Apparent molar volumes and compressibilities of selected electrolytes in dimethylsulfoxide

    International Nuclear Information System (INIS)

    Warminska, Dorota; Grzybkowski, Waclaw

    2010-01-01

    Densities at T = (293.15, 298.15, 303.15, 313.15, 323.15, and 333.15) K and sound velocities at T = 298.15 K of tetraphenylphosphonium bromide, sodium tetraphenylborate, sodium bromide, and sodium perchlorate in dimethylsulfoxide have been measured over the composition range from (0 to 0.3) mol . kg -1 . From these data, apparent molar volumes and apparent molar isentropic compressibilities at infinite dilution as well as the expansibilities have been evaluated. The results have been discussed in terms of employing tetraphenylphosphonium tetraphenylborate as a reference electrolyte in splitting the limiting apparent molar volumes and apparent molar isentropic compressibilities into ionic contributions.

  7. Molar Volume Analysis of Molten Ni-Al-Co Alloy by Measuring the Density

    Institute of Scientific and Technical Information of China (English)

    XIAO Feng; FANG Liang; FU Yuechao; YANG Lingchuan

    2004-01-01

    The density of molten Ni-Al-Co alloys was measured in the temperature range of 1714~1873K using a modified pycnometric method, and the molar volume of molten alloys was analyzed. The density of molten Ni-Al-Co alloys was found to decrease with increasing temperature and Co concentration in alloys. The molar volume of molten Ni-Al-Co alloys increases with increasing Co concentration in alloys. The molar volume of molten Ni-Al-Co alloys shows a negative deviation from the linear molar volume.

  8. Apparent molar volumes and apparent molar heat capacities of aqueous D-lactose · H2O at temperatures from (278.15 to 393.15) K and at the pressure 0.35 MPa

    International Nuclear Information System (INIS)

    Sargent, J.D.; Niederhauser, T.L.; Woolley, E.M.

    2004-01-01

    Apparent molar volumes V phi and apparent molar heat capacities C p,phi were determined for aqueous solutions of D-lactose · H 2 O at molalities (0.01 to 0.34) mol · kg -1 at temperatures (278.15 to 393.15) K, and at the pressure 0.35 MPa. Our V phi values were calculated from densities obtained using a vibrating tube densimeter, and our C p,phi values were obtained using a twin fixed-cell, power-compensation, differential-output, temperature-scanning calorimeter. Our results for D-lactose(aq) and for D-lactcose · H 2 O were fitted to functions of m and T and compared with the literature results for aqueous D-glucose and D-galactose solutions. Infinite dilution partial molar volumes V 2 compfn and heat capacities C p,2 compfn are given over the range of temperatures

  9. Standard molar volumes and heat capacities of aqueous solutions of sodium trifluoromethanesulfonate at temperatures up to 573 K and pressures to 28 MPa

    International Nuclear Information System (INIS)

    Pourtier, Emilie; Ballerat-Busserolles, Karine; Majer, Vladimir; Šedlbauer, Josef

    2013-01-01

    Highlights: ► Original HT/HP data for NaTr(aq) obtained using non-commercial instruments. ► First heat capacity data for NaTr(aq) at conditions remote from ambient. ► Correction for association when calculating stand. therm. properties of Tr(aq) anion. - Abstract: Densities and heat capacities of aqueous solutions of sodium trifluoromethanesulfonate (sodium triflate) of concentrations from 0.025 to 0.3 mol · kg −1 were measured with high temperature, high pressure custom-made instruments at temperatures up to 573 K and at pressures up to 28 MPa. Standard molar volumes and standard molar heat capacities were obtained via extrapolation of the apparent molar properties to infinite dilution. The results for volumetric properties are consistent with earlier literature data, but no previous measurements exist for heat capacities of sodium triflate at superambient conditions. The new data were used for calculating the standard molar volumes and heat capacities for the triflate anion and compared with the results for triflic acid that should be essentially identical within the expected error margins. At temperatures above 473 K an effort was made to refine the processing of literature data for HCl(aq), taking into account its partial association, and subsequently to modify the value for Na + ion calculated from the standard thermodynamic values of NaCl(aq) where its ion pairing was already considered. This approach yields reasonable agreement at high temperatures between the values for triflate ion calculated from its salt and those for triflic acid.

  10. Pressure Dependence of Molar Volume near the Melting Point in Benzene

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    The pressure dependence of the molar volume was at constant temperatures close to the melting point in benzene. The molar volume of benzene was calculated using experimental data for the thermal expansivity for constant temperatures of 25℃, 28.5℃, 40℃, and 51℃ at various pressures for both the solid and liquid phases. The predictions are in good agreement with the observed volumes in both the solid and liquid phases of benzene. The predicted values of the molar volume for a constant temperature of 28.5℃ in the liquid phase of benzene agree well with experimental data in the literature.

  11. Apparent molar heat capacities and apparent molar volumes of Pr(ClO4)3(aq), Gd(ClO4)3(aq), Ho(ClO4)3(aq), and Tm(ClO4)3(aq) at T=(288.15, 298.15, 313.15, and 328.15) K and p=0.1 MPa

    International Nuclear Information System (INIS)

    Hakin, Andrew W.; Lian Liu, Jin; Erickson, Kristy; Munoz, Julie-Vanessa

    2004-01-01

    Acidified aqueous solutions of Pr(ClO 4 ) 3 (aq), Gd(ClO 4 ) 3 (aq), Ho(ClO 4 ) 3 (aq), and Tm(ClO 4 ) 3 (aq) were prepared from the corresponding oxides by dissolution in dilute perchloric acid. Once characterized with respect to trivalent metal cation and acid content, the relative densities of the solutions were measured at T=(288.15, 298.15, 313.15, and 328.15) K and p=0.1 MPa using a Sodev O2D vibrating tube densimeter. The relative massic heat capacities of the aqueous systems were also determined, under the same temperature and pressure conditions, using a Picker Flow Microcalorimeter. All measurements were made on solutions containing rare earth salt in the concentration range 0.01 ≤ m/(mol · kg -1 ) ≤ 0.2. Relative densities and relative massic heat capacities were used to calculate the apparent molar volumes and apparent molar heat capacities of the acidified salt solutions from which the apparent molar properties of the aqueous salt solutions were extracted by the application of Young's Rule. The concentration dependences of the isothermal apparent molar volumes and heat capacities of each aqueous salt solution were modelled using Pitzer ion-interaction equations. These models produced estimates of apparent molar volumes and apparent molar heat capacities at infinite dilution for each set of isothermal V phi,2 and C pphi,2 values. In addition, the temperature and concentration dependences of the apparent molar volumes and apparent molar heat capacities of the aqueous rare earth perchlorate salt solutions were modelled using modified Pitzer ion-interaction equations. The latter equations utilized the Helgeson, Kirkham, and Flowers equations of state to model the temperature dependences (at p=0.1 MPa) of apparent molar volumes and apparent molar heat capacities at infinite dilution. The results of the latter models were compared to those previously published in the literature. Apparent molar volumes and apparent heat capacities at infinite dilution

  12. Apparent molar volumes and apparent molar heat capacities of aqueous magnesium nitrate, strontium nitrate, and manganese nitrate at temperatures from 278.15 K to 393.15 K and at the pressure 0.35 MPa

    International Nuclear Information System (INIS)

    Jones, J.S.; Ziemer, S.P.; Brown, B.R.; Woolley, E.M.

    2007-01-01

    Apparent molar volumes V φ and apparent molar heat capacities C p,φ were determined at the pressure 0.35 MPa for aqueous solutions of magnesium nitrate Mg(NO 3 ) 2 at molalities m = (0.02 to 1.0) mol . kg -1 , strontium nitrate Sr(NO 3 ) 2 at m = (0.05 to 3.0) mol . kg -1 , and manganese nitrate Mn(NO 3 ) 2 at m = (0.01 to 0.5) mol . kg -1 . Our V φ values were calculated from solution densities obtained at T = (278.15 to 368.15) K using a vibrating-tube densimeter, and our C p,φ values were calculated from solution heat capacities obtained at T = (278.15 to 393.15) K using a twin fixed-cell, differential, temperature-scanning calorimeter. Empirical functions of m and T were fitted to our results, and standard state partial molar volumes and heat capacities were obtained over the ranges of T investigated

  13. Excess molar volumes of binary mixtures (an ionic liquid + water): A review

    International Nuclear Information System (INIS)

    Bahadur, Indra; Letcher, Trevor M.; Singh, Sangeeta; Redhi, Gan G.; Venkatesu, Pannuru; Ramjugernath, Deresh

    2015-01-01

    Highlights: • Review of excess molar volumes for mixtures of (ionic liquids (ILs) + H 2 O). • 6 cation groups reviewed including imidazolium and pyrrolidinium groups. • 13 anions reviewed including tetraborate, triflate, and hydrogensulphate. • Effects of anion, cation, and temperature investigated. - Abstract: This review covers recent developments in the area of excess molar volumes for mixtures of {ILs (1) + H 2 O (2)} where ILs refers to ionic liquids involving cations: imidazolium, pyridinium, pyrrolidinium, piperidinium, morpholinium and ammonium groups; and anions: tetraborate, triflate, hydrogensulphate, methylsulphate, ethylsulphate, thiocyanate, dicyanamide, octanate, acetate, nitrate, chloride, bromide, and iodine. The excess molar volumes of aqueous ILs were found to cover a wide range of values for the different ILs (ranging from −1.7 cm 3 · mol −1 to 1.2 cm 3 · mol −1 ). The excess molar volumes increased with increasing temperature for all systems studied in this review. The magnitude and in some cases the sign of the excess molar volumes for all the aqueous ILs mixtures, apart from the ammonium ILs, were very dependent on temperature. This was particularly important in the dilute IL concentration region. It was found that the sign and magnitude of the excess molar volumes of aqueous ILs (for ILs with hydrophobic cations), was more dependent on the nature of the anion than on the cation

  14. The partial molar heat capacity, expansion, isentropic, and isothermal compressions of thymidine in aqueous solution at T = 298.15 K

    International Nuclear Information System (INIS)

    Hedwig, Gavin R.; Jameson, Geoffrey B.; Hoiland, Harald

    2011-01-01

    Highlights: → Solution densities and sound speeds were measured for aqueous solutions of thymidine. → Partial molar volumetric properties at infinite dilution and T = 298.15 K were derived. → The partial molar isentropic and isothermal compressions are of opposite signs. → The partial molar heat capacity for thymidine at infinite dilution was determined. - Abstract: Solution densities have been determined for aqueous solutions of thymidine at T = (288.15, 298.15, 303.15, and 313.15) K. The partial molar volumes at infinite dilution, V 2 0 , obtained from the density data were used to derive the partial molar isobaric expansion at infinite dilution for thymidine at T = 298.15 K, E 2 0 {E 2 0 =(∂V 2 0 /∂T) p }. The partial molar heat capacity at infinite dilution for thymidine, C p,2 0 , at T = 298.15 K has also been determined. Sound speeds have been measured for aqueous solutions of thymidine at T = 298.15 K. The partial molar isentropic compression at infinite dilution, K S,2 0 , and the partial molar isothermal compression at infinite dilution, K T,2 0 {K T,2 0 =-(∂V 2 0 /∂P) T }, have been derived from the sound speed data. The V 2 0 , E 2 0 , C p,2 0 , and K S,2 0 results for thymidine are critically compared with those available from the literature.

  15. Application of ERAS-model and Prigogine-Flory-Patterson theory to excess molar volumes for ternary mixtures of (2-chlorobutane + butylacetate + isobutanol) at T = 298.15 K

    International Nuclear Information System (INIS)

    Khanlarzadeh, K.; Iloukhani, H.

    2011-01-01

    Highlights: → Density of ternary and three binary mixtures of (2-chlorobutane + butylacetate + isobutanol) determined. → Excess molar volume, partial molar volume and apparent molar volume were calculated. → Excess molar volume was correlated as a function of mole fraction by using the Redlich-Kister and Cibulka equation for all mixtures. → The experimental results have been used to test the applicability of the ERAS-model and PFP theory. - Abstract: Densities of the ternary mixture consisting of {2-chlorobutane (1) + butylacetate (2) + isobutanol (3)} and related binary mixtures were measured over the whole range of composition at T = 298.15 K and ambient pressure. Excess molar volumes V m E for the mixtures were derived and correlated as a function of mole fraction by using the Redlich-Kister and the Cibulka equations for binary and ternary mixtures, respectively. From the experimental data, partial molar volumes, V-bar m,i excess partial molar volumes, V-bar i E partial molar volumes at infinite dilution V-bar m,i 0 and apparent molar volumes V-bar φ,i were also calculated. For all binary mixtures over the entire range of mole fractions V m E data are positive. The experimental results of the constituted binary mixtures have been used to test the applicability of the extended real associated solution (ERAS-model) and Prigogine-Flory-Paterson (PFP) theory.

  16. Partial molar volumes of hydrogen and deuterium in niobium, vanadium, and tantalum

    International Nuclear Information System (INIS)

    Peterson, D.T.; Herro, H.M.

    1983-01-01

    The partial molar volumes of hydrogen and deuterium were measured in vanadium, niobium, and tantalum by a differential pressure technique. One-half of an electrolytically charged sample plat was compressed between hardened steel blocks in a hydraulic press. The activity of hydrogen in the hig pressure region was raised and caused hydrogen to diffuse into the low pressure region. The partia molar volume was calculated from the ratio of the hydrogen concentrations in the high and low pressure regions of the sample. Small isotope effects were found in the partial molar volume. Hydrogen had the larger volume in niobium and tantalum, but the reverse was true in vanadium

  17. Partial molar volumes of organic solutes in water. XXVIII. Three aliphatic poly(ethylene glycols) at temperatures T = 298 K–573 K and pressures up to 30 MPa

    International Nuclear Information System (INIS)

    Cibulka, Ivan

    2017-01-01

    Highlights: • Standard molar volumes of three poly(ethylene glycols) in water are presented. • Data were obtained in the range T from (298 to 573) K and p up to 30 MPa. • Data are analyzed and compared with those of similar solutes. - Abstract: Densities of dilute aqueous solutions of three poly(ethylene glycols): 3-oxapentane-1,5-diol (diethylene glycol), 3,6-dioxaoctane-1,8-diol (triethylene glycol), and 3,5,9-trioxaundecane-1,11-diol (tetraethylene glycol) measured in the temperature range from (298 to 573) K and at pressures up to 30 MPa using an automated flow vibrating-tube densimeter are reported. Standard molar volumes were evaluated from the measured data. Present data complement both the previous measurements performed at atmospheric pressure in the temperature range from (278 to 343) K and the data already available for the first member of the homologous series (ethylene glycol). A comparison with data previously measured for the homologous series of linear aliphatic polyethers (poly(ethylene glycol) dimethyl ethers, glymes), diethylene glycol monomethyl ether (3,6-dioxaheptan-1-ol), and selected alkane-α,ω-diols is presented.

  18. Apparent molar volumes and apparent molar heat capacities of Pr(NO{sub 3}){sub 3}(aq), Gd(NO{sub 3}){sub 3}(aq), Ho(NO{sub 3}){sub 3}(aq), and Y(NO{sub 3}){sub 3}(aq) at T (288.15, 298.15, 313.15, and 328.15) K and p = 0.1 MPa

    Energy Technology Data Exchange (ETDEWEB)

    Hakin, Andrew W. [Department of Chemistry and Biochemistry, University of Lethbridge, 4401 University Drive, Lethbridge, Alberta, T1K 3M4 (Canada)]. E-mail: hakin@uleth.ca; Liu Jinlian [Department of Chemistry and Biochemistry, University of Lethbridge, 4401 University Drive, Lethbridge, Alberta, T1K 3M4 (Canada); Erickson, Kristy [Department of Chemistry and Biochemistry, University of Lethbridge, 4401 University Drive, Lethbridge, Alberta, T1K 3M4 (Canada); Munoz, Julie-Vanessa [Department of Chemistry and Biochemistry, University of Lethbridge, 4401 University Drive, Lethbridge, Alberta, T1K 3M4 (Canada); Rard, Joseph A. [Energy and Environment Directorate, Lawrence Livermore National Laboratory, University of California, Livermore, CA 94550 (United States)

    2005-02-01

    Relative densities and relative massic heat capacities have been measured for acidified solutions of Y(NO{sub 3}){sub 3}(aq), Pr(NO{sub 3}){sub 3}(aq), and Gd(NO{sub 3}){sub 3}(aq) at T = (288.15, 298.15, 313.15, and 328.15) K and p = 0.1 MPa. In addition, relative densities and massic heat capacities have been measured at the same temperatures and pressure for Y(NO{sub 3}){sub 3}(aq) and Ho(NO{sub 3}){sub 3}(aq) solutions without excess acid (n.b. measurements at T = 328.15 K for Ho(NO{sub 3}){sub 3}(aq) were not performed due to the limited volume of solution available). Apparent molar volumes and apparent molar heat capacities for the aqueous salt solutions have been calculated from the experimental apparent molar properties of the acidified solutions using Young's rule, whereas the apparent molar properties of the solutions without excess acid were calculated directly from the measured densities and massic heat capacities. The two sets of data for the Y(NO{sub 3}){sub 3}(aq) systems provide a check of the internal consistency of the Young's rule approach we have utilised. The concentration dependences of the apparent molar volumes and heat capacities of the aqueous salt solutions have been modelled at each investigated temperature using the Pitzer ion interaction equations to yield apparent molar properties at infinite dilution. Complex formation within the aqueous rare earth nitrate systems is discussed qualitatively by probing the concentration dependence of apparent molar volumes and heat capacities. In spite of the complex formation in the aqueous rare earth nitrate systems, there is a high degree of self-consistency between the apparent molar volumes and heat capacities at infinite dilution reported in this manuscript and those previously reported for aqueous rare earth perchlorates.

  19. Thermodynamic study of (heptane + amine) mixtures. III: Excess and partial molar volumes in mixtures with secondary, tertiary, and cyclic amines at 298.15 K

    International Nuclear Information System (INIS)

    Lepori, Luciano; Gianni, Paolo; Spanedda, Andrea; Matteoli, Enrico

    2011-01-01

    Graphical abstract: Highlights: → Excess volumes of (sec., tert., or cyclic amines + heptane) mixtures. → Excess volumes are positive for small size amines and decrease as the size increases. → Group contributions to predict the partial molar volumes of amines in heptane. → The void volume is larger for sec. and tert. than for linear amines in heptane. → The void volume is much smaller for cyclic than for linear amines in heptane. - Abstract: Excess molar volumes V E at 298.15 K were determined by means of a vibrating tube densimeter for binary mixtures of {heptane + open chain secondary (diethyl to dibutyl) and tertiary (triethyl to tripentyl) amines} as well as for cyclic imines (C 2 , C 3 , C 4 , C 6 , and C 7 ) and primary cycloalkylamines (C 5 , C 6 , C 7 , and C 12 ). The V E values were found positive for mixtures involving small size amines, with V E decreasing as the size increases. Negative V E 's were found for tributyl- and tripentylamine, heptamethylenimine, and cyclododecylamine. Mixtures of heptane with cycloheptylamine showed an s-shaped curve. Partial molar volumes V 0 of amines at infinite dilution in heptane were obtained from V E and compared with V 0 of hydrocarbons and other classes of organic compounds taken from literature. An additivity scheme, based on the intrinsic volume approach, was applied to estimate group (CH 3 , CH 2 , CH, C, NH 2 , NH, N, OH, O, CO, and COO) contributions to V 0 . These contributions, the effect of cyclization on V 0 , and the limiting slope of the apparent excess molar volumes were discussed in terms of solute-solvent and solute-solute interactions.

  20. Apparent and standard partial molar heat capacities and volumes of aqueous tartaric acid and its sodium salts at elevated temperature and pressure

    International Nuclear Information System (INIS)

    Xie Wei; Trevani, Liliana; Tremaine, Peter R.

    2004-01-01

    Apparent molar heat capacities and volumes have been determined for aqueous solutions of tartaric acid (H 2 Tar, Tar=C 4 H 4 O 6 ), two buffer solutions of (H 2 Tar/NaHTar) and (NaHTar/Na 2 Tar), and solutions of disodium tartrate (Na 2 Tar) at four temperatures in the range 283.15≤T/K≤328.15 at p=1 MPa. Apparent molar volumes for H 2 Tar(aq) and Na 2 Tar(aq) have been measured at temperatures 377.15≤T/K≤529.15 and p=10.4 MPa. The experimental results have been represented with a model to describe the molality and temperature dependence. Extrapolations to infinite dilution yielded standard partial molar heat capacities C p 0 and volumes V 0 for the species H 2 Tar(aq), HTar - (aq) and Tar 2- (aq) over the range of experimental measurements. The temperature dependence of V 0 for Na 2 Tar(aq) is consistent with other aqueous electrolytes, while that of H 2 Tar(aq) may be anomalous, in that it does not show divergence towards increasingly positive values with increasing temperature

  1. Molar volume dependence of the pressure of solid 3He at very low temperatures

    International Nuclear Information System (INIS)

    Mamiya, T.; Sawada, A.; Fukuyama, H.; Iwahashi, K.; Masuda, Y.

    1983-01-01

    The pressure of solid 3 He has been measured as a function of temperature T between 0.3 and 50 mK at molar volumes between 24.19 and 23.31 cm 3 . The entropy discontinuity obtained from the pressure jump at the ordering transition turned out to be almost independent of molar volumes, being about 0.40Rln2 in the studied range of molar volumes

  2. Molecular theory of partial molar volume and its applications to biomolecular systems

    Directory of Open Access Journals (Sweden)

    T.Imai

    2007-09-01

    Full Text Available The paial molar volume (PMV is a thermodynamic quantity which contains important information about the solute-solvent interactions as well as the solute structure in solution.Additionally, the PMV is the most essential quantity in the analysis of the pressure effect on chemical reactions. This aicle reviews the recent developments in molecular theories of the PMV, especially the reference interaction site model (RISMtheory of molecular liquids and its three-dimensional generalization version (3D-RISM, which are combined with the Kirkwood-Buff solution theory to calculate the PMV. This aicle also introduces our recent applications of the theory to some interesting issues concerning the PMV of biomolecules. In addition, theoretical representations of the effects of intramolecular fluctuation on the PMV, which are significant for biomacromolecules, are briefly discussed.

  3. Excess molar volumes and isentropic compressibilities of binary ...

    Indian Academy of Sciences (India)

    Excess molar volume; binary liquid mixtures; isentropic compressibility; intermolecular interactions. ... mixtures are essential for fluid flow, mass flow and heat transfer processes in chemical ... Experimentally determined values of density(ρ).

  4. Apparent molar heat capacities and apparent molar volumes of Pr(ClO{sub 4}){sub 3}(aq), Gd(ClO{sub 4}){sub 3}(aq), Ho(ClO{sub 4}){sub 3}(aq), and Tm(ClO{sub 4}){sub 3}(aq) at T=(288.15, 298.15, 313.15, and 328.15) K and p=0.1 MPa

    Energy Technology Data Exchange (ETDEWEB)

    Hakin, Andrew W. E-mail: hakin@uleth.ca; Lian Liu, Jin; Erickson, Kristy; Munoz, Julie-Vanessa

    2004-09-01

    Acidified aqueous solutions of Pr(ClO{sub 4}){sub 3}(aq), Gd(ClO{sub 4}){sub 3}(aq), Ho(ClO{sub 4}){sub 3}(aq), and Tm(ClO{sub 4}){sub 3}(aq) were prepared from the corresponding oxides by dissolution in dilute perchloric acid. Once characterized with respect to trivalent metal cation and acid content, the relative densities of the solutions were measured at T=(288.15, 298.15, 313.15, and 328.15) K and p=0.1 MPa using a Sodev O2D vibrating tube densimeter. The relative massic heat capacities of the aqueous systems were also determined, under the same temperature and pressure conditions, using a Picker Flow Microcalorimeter. All measurements were made on solutions containing rare earth salt in the concentration range 0.01 {<=} m/(mol {center_dot} kg{sup -1}) {<=} 0.2. Relative densities and relative massic heat capacities were used to calculate the apparent molar volumes and apparent molar heat capacities of the acidified salt solutions from which the apparent molar properties of the aqueous salt solutions were extracted by the application of Young's Rule. The concentration dependences of the isothermal apparent molar volumes and heat capacities of each aqueous salt solution were modelled using Pitzer ion-interaction equations. These models produced estimates of apparent molar volumes and apparent molar heat capacities at infinite dilution for each set of isothermal V{sub phi,2} and C{sub pphi,2} values. In addition, the temperature and concentration dependences of the apparent molar volumes and apparent molar heat capacities of the aqueous rare earth perchlorate salt solutions were modelled using modified Pitzer ion-interaction equations. The latter equations utilized the Helgeson, Kirkham, and Flowers equations of state to model the temperature dependences (at p=0.1 MPa) of apparent molar volumes and apparent molar heat capacities at infinite dilution. The results of the latter models were compared to those previously published in the literature. Apparent

  5. Partial molar volumes of hydrogen and deuterium in niobium and vanadium

    International Nuclear Information System (INIS)

    Herro, H.M.

    1979-01-01

    Lattice dilation studies and direct pressure experiments gave comparable values for the partial molar volumes of hydrogen and deuterium in niobium and vanadium. Small isotope effects in the partial molar volume of hydrogen were measured in both metals by the differential isotope method. Hydrogen had a larger partial molar volume than deuterium in niobium, but the reverse was true in vanadium. The isotope effect measured in niobium can be represented as being due to the larger amplitude of vibration of the hydrogen atom than the deuterium atom in the metal lattice. Since hydrogen has a larger mean displacement from the equilibrium position than does deuterium, the average force hydrogen exerts on the metal atoms is greater than the force deuterium exerts. The isotope effect in vanadium is likely a result of anharmonic effects in the lattice and local vibrational modes

  6. excess molar volumes, and refractive index of binary mixtures

    African Journals Online (AJOL)

    Preferred Customer

    because (a) water molecules have hydroxyl group which can make stronger hydrogen bonding than methanol and (b) water molecules and glycerol have suitable kinetic energy for bulk volumes at high temperature. Thus, the mixture of glycerol + water have big excess molar volume than methanol. The hydrogen bonding ...

  7. Molecular polarizability of organic molecules and their complexes. Communication LIV. Molar volumes of polyaryl organoelement compounds in solutions, extrapolated to infinite dilution, and steric structure of the molecules

    International Nuclear Information System (INIS)

    Bulgarevich, S.B.; Burdastykh, T.V.

    2008-01-01

    Molar volumes in various solvents were determined for organic derivatives of silicon, phosphorus, arsenic, sulfur, and tellurium, containing aryl nuclei capable to internal rotation about single bonds between them and bridging groups. Additive analysis of the molar volumes of these compounds showed that the aryl nuclei are acoplanar with respect to the bridging groups. Most probable is a conrotatory mutual orientation of the aromatic rings. Molar volumes were also determined for a series of compounds with two bridging groups, which can serve as models of an extreme case of mutual proximity of aryl ring planes in diaryl systems with one bridging group. A possibility for considerably simplifying the methods for determination of dipole moments and Kerr constants for compounds whose molar volumes can be calculated by our developed additive scheme is demonstrated [ru

  8. The molar hydrodynamic volume changes of factor VIIa due to GlycoPEGylation.

    Science.gov (United States)

    Plesner, Bitten; Westh, Peter; Hvidt, Søren; Nielsen, Anders D

    2011-06-01

    The effects of GlycoPEGylation on the molar hydrodynamic volume of recombinant human rFVIIa were investigated using rFVIIa and two GlycoPEGylated recombinant human FVIIa derivatives, a linear 10kDa PEG and a branched 40kDa PEG, respectively. Molar hydrodynamic volumes were determined by capillary viscometry and mass spectrometry. The intrinsic viscosities of rFVIIa, its two GlycoPEGylated compounds, and of linear 8kDa, 10kDa, 20kDa and branched 40kDa PEG polymers were determined. The measured intrinsic viscosity of rFVIIa is 6.0mL/g, while the intrinsic viscosities of 10kDa PEG-rFVIIa and 40kDa PEG-rFVIIa are 29.5mL/g and 79.0mL/g, respectively. The intrinsic viscosities of the linear PEG polymers are 20, 22.6 and 41.4mL/g for 8, 10, and 20kDa, respectively, and 61.1mL/g for the branched 40kDa PEG. From the results of the intrinsic viscosity and MALDI-TOF measurements it is evident, that the molar hydrodynamic volume of the conjugated protein is not just an addition of the molar hydrodynamic volume of the PEG and the protein. The molar hydrodynamic volume of the GlycoPEGylated protein is larger than the volume of its composites. These results suggest that both the linear and the branched PEG are not wrapped around the surface of rFVIIa but are chains that are significantly stretched out when attached to the protein. Copyright © 2011 Elsevier B.V. All rights reserved.

  9. Experimental and predicted data of excess molar enthalpies and excess molar volumes for the ternary system (1,3-dichlorobenzene + benzene + 1-chlorohexane) at T = 298.15 K

    International Nuclear Information System (INIS)

    Mato, Marta M.; Verdes, Pedro V.; Paz Andrade, M.I.; Legido, José Luis

    2014-01-01

    Graphical abstract: - Highlights: • Experimental enthalpy and densitiy for the mixture 1,3-dichlorobenzene + benzene + 1-chlorohexane were measured. • The excess molar volumes were calculated from the densities of the pure liquids and their mixtures. • The Cibulka equation was used to correlate the ternary contribution of the excess molar properties. • The experimental data were used to test several empirical equations. - Abstract: Experimental excess molar enthalpies, densities and excess molar volumes for the ternary system {x 1 1,3-dichlorobenzene + x 2 benzene + (1 − x 1 − x 2 ) 1-chlorohexane} have been determined at the temperature of 298.15 K and atmospheric pressure. Values of excess molar enthalpies were measured using a Calvet microcalorimeter, and excess molar volumes were determined from the densities of the pure liquids and mixtures, using a vibrating-tube densimeter. The results were fitted by means of different variable degree polynomials. Smooth representations of the results are presented and used to construct constant contours of excess molar enthalpy and excess molar volume on Roozeboom diagrams. Several empirical expressions that have been suggested for use with parameters and predicting excess properties of ternary mixtures from the experimental binary data were tested

  10. Elastic properties and molar volume of rare-earth aluminosilicae glasses

    International Nuclear Information System (INIS)

    Tanabe, S.; Hirao, K.; Soga, N.

    1992-01-01

    This paper reports on the elastic properties, molar volume, and glass transition temperature (T g ) of rare-earth-containing aluminosilicate glasses that were investigated in the compositions of SiO 2 --LnAlO 3 and SiO 2 --Ln 3/4 Al 5/4 O 3 , where Ln is Y, La, Nd, Eu, or Yb. The molar volume decreased with decreased ionic size of the Ln 3+ ion, and T g and elastic moduli increased in the same order. The Yb-containing glasses showed the highest Young's modulus among all the oxide glasses, even higher than the highest value ever known fro glass containing Y 2 O 3 , as expected from the smaller ionic radius of Yb 3+ than that of Y 3+ . The bulk modulus was found to be almost proportional to the inverse four-thirds power of the molar volume of glasses in each composition, indicating that Ln 3+ ions can substitute for each other without changing the glass structure except for the size of the local structure around themselves. From the comparison of these properties, the structural role of rate-earth ions in these glasses is discussed

  11. Apparent molar volumes and apparent molar heat capacities of aqueous lead nitrate at temperatures from 278.15 K to 393.15 K and at the pressure 0.35 MPa

    International Nuclear Information System (INIS)

    Brown, B.R.; Niederhauser, T.L.; Merkley, E.D.; Woolley, E.M.

    2004-01-01

    Apparent molar volumes V phi and apparent molar heat capacities C p,phi were determined for aqueous solutions of lead nitrate [Pb(NO 3 ) 2 ] at m=(0.02 to 0.5) mol · kg -1 , at T=(278.15 to 393.15) K, and at the pressure 0.35 MPa. Our V phi values were calculated from densities obtained using a vibrating-tube densimeter, and our C p,phi values were obtained using a twin fixed-cell, power-compensation, differential-output, temperature-scanning calorimeter. Our results were fitted to functions of m and T and compared with results from the literature

  12. Quadrupole terms in the Maxwell equations: Born energy, partial molar volume, and entropy of ions.

    Science.gov (United States)

    Slavchov, Radomir I; Ivanov, Tzanko I

    2014-02-21

    A new equation of state relating the macroscopic quadrupole moment density Q to the gradient of the field ∇E in an isotropic fluid is derived: Q = αQ(∇E - U∇·E/3), where the quadrupolarizability αQ is proportional to the squared molecular quadrupole moment. Using this equation of state, a generalized expression for the Born energy of an ion dissolved in quadrupolar solvent is obtained. It turns out that the potential and the energy of a point charge in a quadrupolar medium are finite. From the obtained Born energy, the partial molar volume and the partial molar entropy of a dissolved ion follow. Both are compared to experimental data for a large number of simple ions in aqueous solutions. From the comparison the value of the quadrupolar length LQ is determined, LQ = (αQ/3ɛ)(1/2) = 1-4 Å. Data for ion transfer from aqueous to polar oil solution are analyzed, which allowed for the determination of the quadrupolarizability of nitrobenzene.

  13. Excess molar volumes and viscosities of binary mixtures of 1,2

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 113; Issue 3. Excess molar volumes and viscosities of binary mixtures of 1,2-diethoxyethane with chloroalkanes ... The Bloomfield and Dewan model has been used to calculate viscosity ...

  14. Measurement and correlation of excess molar volumes for mixtures of 1-propanol and aromatic hydrocarbons

    International Nuclear Information System (INIS)

    Gahlyan, Suman; Rani, Manju; Maken, Sanjeev Kumar; Lee, Inkyu; Moon, Il

    2015-01-01

    Excess molar volumes (V m E ) have been measured at 303.15 K for 1-propanol+benzene or toluene or o- or m- or p-xylene mixtures using V-shape dilatometer. The V m E values, for an equimolar composition, vary in the order: benzene>toluene-m-xylene>o-xylene>p-xylene. The V m E data have been used to calculate partial molar volumes, excess partial molar volumes, and apparent molar volumes of 1-propanol and aromatic hydrocarbons over the entire range of composition. The excess volume data have also been interpreted in terms of graph-theoretical approach and Prigogine-Flory-Patterson theory (PFP). While PFP theory fails to predict the V m E values for systems with s-shaped V m E versus x 1 graph, the V m E values calculated by graph theory compare reasonably well with the corresponding experimental values. This graph theory analysis has further yielded information about the state of aggregation of pure components as well as of the mixtures

  15. Molar volume and adsorption isotherm dependence of capillary forces in nanoasperity contacts.

    Science.gov (United States)

    Asay, David B; Kim, Seong H

    2007-11-20

    The magnitude of the capillary force at any given temperature and adsorbate partial pressure depends primarily on four factors: the surface tension of the adsorbate, its liquid molar volume, its isothermal behavior, and the contact geometry. At large contacting radii, the adsorbate surface tension and the contact geometry are dominating. This is the case of surface force apparatus measurements and atomic force microscopy (AFM) experiments with micrometer-size spheres. However, as the size of contacting asperities decreases to the nanoscale as in AFM experiments with sharp tips, the molar volume and isotherm of the adsorbate become very important to capillary formation as well as capillary adhesion. This effect is experimentally and theoretically explored with simple alcohol molecules (ethanol, 1-butanol, and 1-pentanol) which have comparable surface tensions but differing liquid molar volumes. Adsorption isotherms for these alcohols on silicon oxide are also reported.

  16. Excess Molar Volume and Apparent Molar Volume of Binary Mixtures of 2—Methyl—3—buten—2—ol with 1—Alcohol at 298.15K

    Institute of Scientific and Technical Information of China (English)

    LIUDixia; LIHaoran; 等

    2002-01-01

    Excess molar volumes (VmE) of binary mixtures of 2-methyl-3-buten-2-ol[CH3C(OH)(CH3)CHCH2] with four 1-alcohols:methanol,ethanol,1-propanol and 1-butanol at 298.15K and atmospheric pressure are derived from density measurements with a vibrating-tube densimeter.All the excess volumes are negative in the systems over the entire composition range. The results are correlated with the Redlich-Kister equation.The effects of chain length of 1-alcohols on VmE are discussed.The apparent molar volumes of 2-methyl-3-buten-2-ol and 1-alcohols are calculated respectively.

  17. Standard partial molar volumes of some electrolytes in ethylene carbonate based mixtures

    International Nuclear Information System (INIS)

    Zhao, Yang; Wang, Jianji.; Lu, Hui; Lin, Ruisen

    2004-01-01

    Apparent molar volumes V 2,phi and standard partial molar volumes V 2,phi 0 of LiClO 4 , LiBr and three symmetrical tetraalkylammonium bromides R 4 NBr (R=ethyl, propyl, butyl) have been determined at 298.15 K from precise density measurements in solvent mixtures of ethylene carbonate with tetrahydrofuran (THF), acetonitrile (AN), ethyl acetate (EA) and dimethoxyethane (DME). It is shown that the V 2,phi 0 values of LiClO 4 and LiBr are dependent strongly on the nature of the solvents, whereas the contribution of CH 2 group to the partial molar volume of the tetraalkylammonium salts has nothing to do with the nature of the solvents and the composition of the solvent mixtures. This provided a helpful evidence for the unsolvation of large tetraalkylammonium cations in organic solvents. The results have been discussed from ion-solvent interactions and the dielectric effect of the solvents

  18. Phase equilibria and excess molar volumes of tetrahydrofuran (1) + deuterium oxide (2)

    International Nuclear Information System (INIS)

    Lejcek, P.; Matous, J.; Novak, J.P.; Pick, J.

    1975-01-01

    Vapour + liquid equilibrium at 313.15 and 333.15K, liquid + liquid equilibrium throughout the whole region of limited miscibility, and excess molar volumes at 298.15K have been studied for tetrahydrofuran + deuterium oxide. The mixtures show large positive deviations from Raoult's law and a closed loop of limited miscibility. The modified Redlich-Kister equation has been used for the correlation of the vapour + liquid equilibrium. The computation has been carried out according to a recently proposed procedure which makes it possible to obtain such constants of the correlation relation which are not inconsistent with physical reality, i.e. with the complete miscibility (partial delta 2 G/deltax 1 2 >0) under experimental conditions. Thermodynamic consistency was checked by the classical Redlich-Kister test and the one proposed by Ulrichson and Stevenson. Excess molar volumes are negative at all compositions with a point of inflexion in the water-rich region which indicates the extremes in partial molar volumes. (author)

  19. Thermodynamic interrelation between excess limiting partial molar characteristics of a liquid nonelectrolyte

    International Nuclear Information System (INIS)

    Ivanov, Evgeniy V.

    2012-01-01

    Highlights: ► Excess limiting molar volume may be regarded as a solvation-related characteristic. ► Volumetric and enthalpic effects of dissolution are interrelated thermodynamically. ► Possibility to estimate the partial change in solute compressibility is described. - Abstract: On the basis of thermodynamic analysis, it is concluded that the excess limiting partial molar volume, like the excess limiting partial molar enthalpy, can be considered as a solvation-related characteristic of a liquid nonelectrolyte. A thermodynamically grounded interrelation between standard volumetric and enthalpic effects of solution of a liquid nonelectrolyte (or series of nonelectrolytes) is suggested.

  20. Part 2: Limiting apparent molar volume of organic and inorganic 1:1 electrolytes in (water + ethylammonium nitrate) mixtures at 298 K - Thermodynamic approach using Bahe-Varela pseudo-lattice theory

    International Nuclear Information System (INIS)

    Bouguerra, Sabbah; Bou Malham, Ibrahim; Letellier, Pierre; Mayaffre, Alain; Turmine, Mireille

    2008-01-01

    Values of partial molar volumes at infinite dilution of 9 inorganic and 4 organic 1:1 electrolytes have been determined in (water + ethylammonium nitrate) (EAN) binary at 298.15 K throughout the composition scale. Our theoretical analysis shows that the values of partial molar volumes at infinite dilution of a solute in a binary are linked to those of the partial molar volumes of the components of mixed solvent. This applies to mixtures of molecular solvents as well as (water + ionic liquid) media. The use of the 'pseudo-lattice theory' of Bahe recently supplemented Varela can be used for calculations and to obtain information about the interactions between 1:1 electrolytes as solutes at infinite dilution and their concentrated saline environment. We show that the 'pseudo-lattice theory' allows accurate description of the behaviours of symmetrical tetraalkylammoniums bromide between the infinitely dilute state and concentrations higher than 2 mol . L -1

  1. Apparent molar volumes and compressibilities of alkaline earth metal ions in methanol and dimethylsulfoxide

    International Nuclear Information System (INIS)

    Warminska, Dorota; Wawer, Jaroslaw; Grzybkowski, Waclaw

    2010-01-01

    Temperature dependencies of density of magnesium (II), calcium (II), strontium (II), barium (II) perchlorates as well as beryllium (II), and sodium trifluoromethanesulfonates in methanol and dimethylsulfoxide have been determined over the composition range studied. From density data the apparent molar volumes and partial molar volumes of the salts at infinite dilution as well as the expansibilities have been evaluated. The apparent molar isentropic compressibilities of alkaline earth metal perchlorates and beryllium (II) and sodium triflates in methanol and DMSO have been calculated from sound speed data obtained at T = 298.15 K.

  2. Interactions of glutamine dipeptides with sodium dodecyl sulfate in aqueous solution measured by volume, conductivity, and fluorescence spectra

    Energy Technology Data Exchange (ETDEWEB)

    Yan Zhenning, E-mail: yanzzn@zzu.edu.cn [Department of Chemistry, Zhengzhou University, Zhengzhou, Henan 450001 (China); Sun Ximeng; Li Weiwei; Li Yu [Department of Chemistry, Zhengzhou University, Zhengzhou, Henan 450001 (China); Wang Jianji [Department of Chemistry, Henan Normal University, Xinxiang, Henan 453007 (China)

    2011-10-15

    Highlights: > Ion-ion and ion-polar group interactions are dominant interactions. > The SDS addition and temperature increase cause a dehydration effect on dipeptides. > The addition of dipeptide in water decreases the c{sub cmc} of SDS. > Enthalpy-entropy compensation takes place during micellization. > Micelle aggregation number was decreased by addition of glutamine dipeptides. - Abstract: Densities, conductivities, and fluorescence spectra of {l_brace}sodium dodecyl sulfate (SDS) + glutamine dipeptide + water{r_brace} mixtures were measured as a function of temperature. The density data have been utilized to calculate apparent molar volumes, standard partial molar volumes (V{sub 2,{phi}}{sup o}), standard partial molar volumes of transfer from water to aqueous SDS solutions ({Delta}{sub t}V{sup o}), the hydration number, partial molar expansibility (E{sub {phi}}{sup o}), and Hepler's constant of glutamine dipeptides. The critical micellar concentration (c{sub cmc}) and the degree of counterion dissociation of SDS micelles obtained from electrical conductivity data have been estimated at various concentrations of glutamine dipeptide. Thermodynamic parameters of micellization of SDS in aqueous dipeptide solutions have been determined from c{sub cmc} values and an enthalpy-entropy compensation effect was observed for the ternary systems. The pyrene fluorescence spectra were used to study the change of micropolarity produced by the interaction of SDS with glutamine dipeptide, and the aggregation behavior of SDS. The results have been interpreted in terms of solute-solvent interactions and structural changes in the mixed solutions.

  3. Measurement and correlation of excess molar volumes for mixtures of 1-propanol and aromatic hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Gahlyan, Suman; Rani, Manju; Maken, Sanjeev Kumar [Deenbandhu Chhotu Ram University of Science and Technology, Murthal (India); Lee, Inkyu; Moon, Il [Yonsei University, Seoul (Korea, Republic of)

    2015-01-15

    Excess molar volumes (V{sub m}{sup E} ) have been measured at 303.15 K for 1-propanol+benzene or toluene or o- or m- or p-xylene mixtures using V-shape dilatometer. The V{sub m}{sup E} values, for an equimolar composition, vary in the order: benzene>toluene-m-xylene>o-xylene>p-xylene. The V{sub m}{sup E} data have been used to calculate partial molar volumes, excess partial molar volumes, and apparent molar volumes of 1-propanol and aromatic hydrocarbons over the entire range of composition. The excess volume data have also been interpreted in terms of graph-theoretical approach and Prigogine-Flory-Patterson theory (PFP). While PFP theory fails to predict the V{sub m}{sup E} values for systems with s-shaped V{sub m}{sup E} versus x{sub 1} graph, the V{sub m}{sup E} values calculated by graph theory compare reasonably well with the corresponding experimental values. This graph theory analysis has further yielded information about the state of aggregation of pure components as well as of the mixtures.

  4. Experimental heat capacity of solid hydrogen as a function of molar volume

    International Nuclear Information System (INIS)

    Krause, J.K.

    1978-01-01

    Constant volume heat capacity measurements have been made on six solid hydrogen samples with low orthohydrogen concentrations. The measurements extend from approximately 1.5 K to the melting line, with molar volumes ranging from 22.787 cm 3 /mole to 16.193 cm 3 /mole. Although clustering of the ortho molecules was observed, the low temperature heat capacity anomaly due to the orthohydrogen pairs could be described quite well by the assumption of a fixed distribution. The data were corrected to obtain a lattice heat capacity which on extrapolation to T = 0 yielded Debye temperatures and a volume dependent Grueneisen parameter. A modified Mie-Grueneisen approximation was used to define a volume and temperature dependent Grueneisen parameter which was used to calculate the equation of state, P(V,T), and isothermal bulk modulus, B/sub T/(V,T), for the six isochores. An extrapolation of the equation of state to T = 0 and P = 0 by two different methods yields a molar volume which, when compared with other determinations, gives a recommended value of 23.20 +- 0.05 cm 3 /mole. A rapid increase in the conversion rate of orthohydrogen to parahydrogen was observed at approximately theta/sub o/12. The molar volumes along the melting curve also have been determined directly for the first time in this volume range. These results have been used to show that a low temperature Lindemann melting relation is only approximately valid for solid hydrogen to 50 K

  5. Partial molar volumes of (acetonitrile + water) mixtures over the temperature range (273.15 to 318.15) K

    International Nuclear Information System (INIS)

    Yeow, Y. Leong; Leong, Yee-Kwong

    2007-01-01

    Isothermal molar volume data of (acetonitrile + water) mixtures, between T = 273.15 K and T = 318.15 K, extracted from different sources are combined and treated as a single set to even out minor differences between sources and to increase the number of data points for each temperature. Tikhonov regularization is applied to compute the isothermal first and second derivatives of these data with respect to molar composition. For the reference temperature of 298.15 K, this computation is extended to the third derivative. Generalized Cross Validation is used to guide the selection of the regularization parameter that keeps noise amplification under control. The resulting first derivatives are used to construct the partial molar volume curves which are then checked against published results. Properties of the partial molar volumes are analysed by examining their derivatives. Finally the general shape of the second derivative curve of molar volume is explained qualitatively in terms of tripartite segmentation of the molar composition interval but quantitative comparisons are required to confirm this explanation

  6. Molar excess volumes of liquid hydrogen and neon mixtures from path integral simulation

    International Nuclear Information System (INIS)

    Challa, S.R.; Johnson, J.K.

    1999-01-01

    Volumetric properties of liquid mixtures of neon and hydrogen have been calculated using path integral hybrid Monte Carlo simulations. Realistic potentials have been used for the three interactions involved. Molar volumes and excess volumes of these mixtures have been evaluated for various compositions at 29 and 31.14 K, and 30 atm. Significant quantum effects are observed in molar volumes. Quantum simulations agree well with experimental molar volumes. Calculated excess volumes agree qualitatively with experimental values. However, contrary to the existing understanding that large positive deviations from ideal mixtures are caused due to quantum effects in Ne - H 2 mixtures, both classical as well as quantum simulations predict the large positive deviations from ideal mixtures. Further investigations using two other Ne - H 2 potentials of Lennard - Jones (LJ) type show that excess volumes are very sensitive to the cross-interaction potential. We conclude that the cross-interaction potential employed in our simulations is accurate for volumetric properties. This potential is more repulsive compared to the two LJ potentials tested, which have been obtained by two different combining rules. This repulsion and a comparatively lower potential well depth can explain the positive deviations from ideal mixing. copyright 1999 American Institute of Physics

  7. Aqueous partial molar heat capacities and volumes for NaReO4 and NaTcO4

    International Nuclear Information System (INIS)

    Lemire, R.J.; Saluja, P.P.S.; Campbell, A.B.

    1989-01-01

    As part of the Canadian Nuclear Fuel Waste Management Program, data are required to model the equilibrium thermodynamic behavior of key radionuclides at temperatures above 25 degree C. A flow microcalorimeter/densimeter system has been commissioned to measure heat capacities and densities of solutions containing radioactive species. Measurements for solutions of aqueous NaReO 4 (a common analogue for NaTcO 4 ) were made at seven temperatures (15 to 100 degree C) over the concentration range 0.05 to 0.2 mol·kg -1 . Subsequently, measurements were made for NaTcO 4 solutions under similar conditions. The heat capacity and density data are analyzed using Pitzer's ion-interaction model, and values of the NaReO 4 partial molar heat capacities are compared to literature values based on integral heats of solution. The agreement between the two sets of NaReO 4 data is good below 75 degree C, but only fair at the higher temperatures. Values of the partial molar volumes have also been derived. The uncertainties introduced by using thermodynamic data for ReO 4 - , in the absence of data for TcO 4 - , are discussed

  8. Thermodynamics of proton dissociation from aqueous bicarbonate: apparent molar volumes and apparent molar heat capacities of potassium carbonate and potassium bicarbonate at T=(278.15 to 393.15) K and at the pressure 0.35 MPa

    International Nuclear Information System (INIS)

    Sorenson, E.C.; Woolley, E.M.

    2004-01-01

    We have determined the apparent molar volumes V phi and apparent molar heat capacities C p,phi of aqueous potassium carbonate and potassium bicarbonate solutions in the ranges (0.014≤m/(mol · kg -1 )≤0.51) and (278.15≤T/K≤393.15) at the pressure p=0.35 MPa. Corrections for speciation due to hydrolysis and disproportionation in solution were applied using Young's rule, and semi-empirical equations representing (V phi ,m,T) and (C p,phi ,m,T) for the species {2K + , CO 3 2- (aq)} and {K + , HCO 3 - (aq)} were fitted to the experimental results. We have used these equations to estimate the change in volume Δ r V m , change in heat capacity Δ r C p,m , enthalpy change Δ r H m , entropy change Δ r S m , and equilibrium molality quotient pQ for the second proton dissociation reaction from aqueous carbonic acid

  9. Excess molar volumes of (an alkanol plus a branched chain ether) at the temperature 298.15 K and the application of the ERAS model

    CSIR Research Space (South Africa)

    Letcher, TM

    1997-12-01

    Full Text Available Phase Equilibria 140 (1997) 207-220 The excess molar the temperature volumes of (an alkanol + a branched chain ether) at 298.15 K and the application of the ERAS model Trevor M. Letcher * , Penny U. Govender ? Drpartnwnt... V,,? results presented here, together with the previously reported data for the molar excess enthalpy Hi, has been used to test the Extended Real Associated Solution (ERAS) model. 0 1997 Elsevier Science B.V. Ke...

  10. Excess molar volume and viscosity deviation for binary mixtures of γ-butyrolactone with dimethyl sulfoxide

    International Nuclear Information System (INIS)

    Krakowiak, Joanna; Śmiechowski, Maciej

    2017-01-01

    Highlights: • Densities and viscosities of DMSO-GBL binary liquid mixtures were measured. • The volumetric parameters and excess quantities were obtained. • Ab initio calculations were performed for single molecules and dimers in the studied mixture. • The interactions in solutions are weaker than in pure solvents. - Abstract: The densities of binary liquid mixtures of dimethyl sulfoxide and γ-butyrolactone at (293.15, 298.15, 303.15 and 313.15) K and viscosity at T = 298.15 K have been measured at atmospheric pressure over the entire range of concentration. From these data the excess molar volumes V E at (293.15, 298.15, 303.15 and 313.15) K and the viscosity deviation, the excess entropy, and the excess Gibbs energy of activation for viscous flow at T = 298.15 K have been determined. These data were mathematically represented by the Redlich-Kister polynomial. Partial and apparent molar volumes have been calculated for better understanding of the interactions in the binary systems. The obtained data indicate the lack of specific interactions between unlike molecules, which seem to be a little weaker as compared to the interactions in pure solvents.

  11. Excess Molar Volumes and Viscosities of Binary Mixture of Diethyl Carbonate+Ethanol at Different Temperatures

    Institute of Scientific and Technical Information of China (English)

    MA Peisheng; LI Nannan

    2005-01-01

    The purpose of this work was to report excess molar volumes and dynamic viscosities of the binary mixture of diethyl carbonate (DEC)+ethanol. Densities and viscosities of the binary mixture of DEC+ethanol at temperatures 293.15 K-343.15 K and atmospheric pressure were determined over the entire composition range. Densities of the binary mixture of DEC+ethanol were measured by using a vibrating U-shaped sample tube densimeter. Viscosities were determined by using Ubbelohde suspended-level viscometer. Densities are accurate to 1.0×10-5 g·cm-3, and viscosities are reproducible within ±0.003 mPa·s. From these data, excess molar volumes and deviations in viscosity were calculated. Positive excess molar volumes and negative deviations in viscosity for DEC+ethanol system are due to the strong specific interactions.All excess molar vo-lumes and deviations in viscosity fit to the Redlich-Kister polynomial equation.The fitting parameters were presented,and the average deviations and standard deviations were also calculated.The errors of correlation are very small.It proves that it is valuable for estimating densities and viscosities of the binary mixture by the correlated equation.

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

    International Nuclear Information System (INIS)

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

    2015-01-01

    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 V E as a function of ethanol mole fraction X 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

  13. Partial Molar Volume of Methanol in Water: Effect of Polarizability

    Czech Academy of Sciences Publication Activity Database

    Moučka, F.; Nezbeda, Ivo

    2009-01-01

    Roč. 74, č. 4 (2009), s. 559-563 ISSN 0010-0765 R&D Projects: GA AV ČR IAA400720802 Institutional research plan: CEZ:AV0Z40720504 Keywords : water–methanol mixtures * partial molar volume * polarizability Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.856, year: 2009

  14. Densities and apparent molar volumes of atmospherically important electrolyte solutions. 2. The systems H(+)-HSO4(-)-SO4(2-)-H2O from 0 to 3 mol kg(-1) as a function of temperature and H(+)-NH4(+)-HSO4(-)-SO4)2-)-H2O from 0 to 6 mol kg(-1) at 25 °C using a Pitzer ion interaction model, and NH4HSO4-H2O and (NH4)3H(SO4)2-H2O over the entire concentration range.

    Science.gov (United States)

    Clegg, S L; Wexler, A S

    2011-04-21

    A Pitzer ion interaction model has been applied to the systems H(2)SO(4)-H(2)O (0-3 mol kg(-1), 0-55 °C) and H(2)SO(4)-(NH(4))(2)SO(4)-H(2)O (0-6 mol kg(-1), 25 °C) for the calculation of apparent molar volume and density. The dissociation reaction HSO(4)(-)((aq)) ↔ H(+)((aq)) + SO(4)(2-)((aq)) is treated explicitly. Apparent molar volumes of the SO(4)(2-) ion at infinite dilution were obtained from part 1 of this work, (1) and the value for the bisulfate ion was determined in this study from 0 to 55 °C. In dilute solutions of both systems, the change in the degree of dissociation of the HSO(4)(-) ion with concentration results in much larger variations of the apparent molar volumes of the solutes than for conventional strong (fully dissociated) electrolytes. Densities and apparent molar volumes are tabulated. Apparent molar volumes calculated using the model are combined with other data for the solutes NH(4)HSO(4) and (NH(4))(3)H(SO(4))(2) at 25 °C to obtain apparent molar volumes and densities over the entire concentration range (including solutions supersaturated with respect to the salts).

  15. Age estimation based on pulp chamber volume of first molars from cone-beam computed tomography images.

    Science.gov (United States)

    Ge, Zhi-pu; Ma, Ruo-han; Li, Gang; Zhang, Ji-zong; Ma, Xu-chen

    2015-08-01

    To establish a method that can be used for human age estimation on the basis of pulp chamber volume of first molars and to identify whether the method is good enough for age estimation in real human cases. CBCT images of 373 maxillary first molars and 372 mandibular first molars were collected to establish the mathematical model from 190 female and 213 male patients whose age between 12 and 69 years old. The inclusion criteria of the first molars were: no caries, no excessive tooth wear, no dental restorations, no artifacts due to metal restorative materials present in adjacent teeth, and no pulpal calcification. All the CBCT images were acquired with a CBCT unit NewTom VG (Quantitative Radiology, Verona, Italy) and reconstructed with a voxel-size of 0.15mm. The images were subsequently exported as DICOM data sets and imported into an open source 3D image semi-automatic segmenting and voxel-counting software ITK-SNAP 2.4 for the calculation of pulp chamber volumes. A logarithmic regression analysis was conducted with age as dependent variable and pulp chamber volume as independent variables to establish a mathematical model for the human age estimation. To identify the precision and accuracy of the model for human age estimation, another 104 maxillary first molars and 103 mandibular first molars from 55 female and 57 male patients whose age between 12 and 67 years old were collected, too. Mean absolute error and root mean square error between the actual age and estimated age were used to determine the precision and accuracy of the mathematical model. The study was approved by the Institutional Review Board of Peking University School and Hospital of Stomatology. A mathematical model was suggested for: AGE=117.691-26.442×ln (pulp chamber volume). The regression was statistically significant (p=0.000volume of first molar is a useful index for the estimation of human age with reasonable precision and accuracy. Copyright © 2015 Elsevier Ireland Ltd. All rights

  16. 293.15 K到333.15 K温度下一些氨基酸及其相应基团水溶液中的偏摩尔体积研究%Studies on Partial Molar Volumes of Some Amino Acids and Their Groups in Aqueous Solutions from 293.15 K to 333.15 K

    Institute of Scientific and Technical Information of China (English)

    赵长伟; 马沛生; 夏淑倩

    2004-01-01

    Densities of aqueous solutions of eight amino acids, glycine, L-alanine, L-valine, L-isoleucine, L-serine,L-threonine, L-arginine and L-phenylalanine, are measured as a function of amino acid concentration from 293.15 K to 333.15K. These data are used to calculate the apparent molar volume V and infinite dilution apparent molar volume V0 (partial molar volume). Data of five amino acids are used to correlate partial molar volume V0 using group contribution method to estimate the contributions of the zwitterionic end groups (NH3+,COO-) and CH2group, OH group, CNHNHNH2 group and C6H5(phenyl) group of amino acids. The results show that V0 values for all kinds of groups of amino acids studied increase with increase of temperature except those for CH2 group,which are almost constant within the studied temperature range. Data of other amino acids, L-valine, L-isoleucine and L-threonine, are chosen for comparison with the predicted partial molar volume V0 using the group additivity parameters obtained. The results confirm that this group additivity method has excellent predictive utility.

  17. Molar extinction coefficients of solutions of some organic compounds

    Indian Academy of Sciences (India)

    (C4H8O2), succinimide (C4H5NO2) as estimated from the measured absorbance of. 7 radiations in their ... species in the solution and ε is called the molar absorptivity or extinction coefficient. (l mol-1cm-1 or ... Integration of eq. (4) leads to.

  18. Solution behavior of metoclopramide in aqueous-alcoholic solutions at 30°C

    Science.gov (United States)

    Deosarkar, S. D.; Sawale, R. T.; Tawde, P. D.; Kalyankar, T. M.

    2016-07-01

    Densities (ρ) and refractive indices ( n D) of solutions of antiemetic drug metoclopramide (4-amino-5-chloro- N-(2-(diethylamino)ethyl)-2-methoxybenzamide hydrochloride hydrate) in methanolwater and ethanol-water mixtures of different compositions were measured at 30°C. Apparent molar volume (φv) of the drug was calculated from density data and partial molar volumes (φ v 0 ) were determined from Massons relation. Concentration dependence of nD has been studied to determine refractive indices of solution at infinite dilution ( n D 0 ). Results have been interpreted in terms of solute-solvent interactions.

  19. Excess molar enthalpies and volumes of binary mixtures of two hydrofluoroethers with hexane, or benzene, or ethanol, or 1-propanol, or 2-butanone at T=298.15 K

    International Nuclear Information System (INIS)

    Ogawa, Hideo; Karashima, Shinya; Takigawa, Takayo; Murakami, Sachio

    2003-01-01

    Excess molar enthalpies and volumes at T=298.15 K are reported for binary mixtures of {1,1,2,3,3,3-hexafluoro-1-methoxypropane (HFE-356mec), [CF 3 CHFCF 2 -O-CH 3 ], or 1,1,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane (HFE-347pc-f) [CHF 2 CF 2 -O-CH 2 CF 3 ] + hexane (Hx), or benzene (Bz), or ethanol (EtOH), or 1-propanol (PrOH), or 2-butanone (MEK)}. The results of excess molar enthalpies are endothermic over the whole range of concentration, except for the MEK systems, in which excess molar enthalpies are exothermic over the whole range of concentration, and the EtOH systems, in which they are exothermic in the smaller mole fraction range. On the other hand, excess molar volumes are positive over the whole concentration range for all the mixtures. The values of the excess molar enthalpies for the (HFE-347pc-f + Hx) system show the linear composition dependence in the range of ca. 0.3< x<0.7, suggesting the quasi-stable state in solution. The results are explained by means of the destruction of the dipolar interactions and hydrogen bond in the pure component liquids, the difference of the dispersion interactions between the pure component liquid and solution, and the formation of the intermolecular hydrogen bond and dipolar interaction between unlike molecules

  20. Experimental excess molar properties of binary mixtures of (3-amino-1-propanol + isobutanol, 2-propanol) at T = (293.15 to 333.15) K and modelling the excess molar volume by Prigogine–Flory–Patterson theory

    International Nuclear Information System (INIS)

    Kermanpour, F.; Niakan, H.Z.

    2012-01-01

    Highlights: ► Density and viscosity of binary mixtures of propanol derivatives were measured at T = (293.15 to 333.15) K. ► The excess molar properties were calculated from these experimental data and correlated by Redlich–Kister equation. ► The PFP model was applied for correlating the excess molar volumes. - Abstract: Density and viscosity of binary mixtures of (x 1 3-amino-1-propanol + x 2 isobutanol) and (x 1 3-amino-1-propanol + x 2 2-propanol) were measured over the entire composition range and from temperatures (293.15 to 333.15) K at ambient pressure. The excess molar volumes and viscosity deviations were calculated and correlated by the Redlich–Kister (RK) equation. The thermal expansion coefficient and its excess value, isothermal coefficient of excess molar enthalpy, and excess partial molar volumes were determined by using the experimental values of density and are described as a function of composition and temperature. The excess molar volumes are negative over the entire mole fraction range for both mixtures and increase with increasing temperature. The excess molar volumes obtained were correlated by the Prigogine–Flory–Patterson (PFP) model. The viscosity deviations of the binary mixtures are negative over the entire composition range and decrease with increasing temperature.

  1. Partial molar volume of paracetamol in water, 0.1 M HCl and 0.154 M NaCl at T = (298.15, 303.15, 308.15 and 310.65) K and at 101.325 kPa

    Energy Technology Data Exchange (ETDEWEB)

    Iqbal, Muhammad Javed [Department of Chemistry, Quaid-i-Azam University, Islamabad, Capital 54320 (Pakistan)]. E-mail: mjiqauchem@yahoo.com; Malik, Qaisar Mahmood [Department of Chemistry, Quaid-i-Azam University, Islamabad, Capital 54320 (Pakistan)]. E-mail: qaisar_@hotmail.com

    2005-12-15

    The apparent molar volume of paracetamol (4-acetamidophenol) in water, 0.1 M HCl and 0.154 M NaCl as solvents at (298.15, 303.15, 308.15 and 310.65) K temperatures and at a pressure of 101.325 kPa were determined from the density data obtained with the help of a vibrating-tube Anton Paar DMA-48 densimeter. The partial molar volume, V {sub m}, of paracetamol in these solvents at different temperatures was evaluated by extrapolating the apparent molar volume versus molality plots to m = 0. In addition, the partial molar expansivity, E {sup .}, the isobaric coefficient of thermal expansion, {alpha} {sub p}, and the interaction coefficient, S {sub v}, have also been computed. The expansivity data show dependence of E {sup .} values on the structure of the solute molecules.

  2. Partial molar volume of paracetamol in water, 0.1 M HCl and 0.154 M NaCl at T = (298.15, 303.15, 308.15 and 310.65) K and at 101.325 kPa

    International Nuclear Information System (INIS)

    Iqbal, Muhammad Javed; Malik, Qaisar Mahmood

    2005-01-01

    The apparent molar volume of paracetamol (4-acetamidophenol) in water, 0.1 M HCl and 0.154 M NaCl as solvents at (298.15, 303.15, 308.15 and 310.65) K temperatures and at a pressure of 101.325 kPa were determined from the density data obtained with the help of a vibrating-tube Anton Paar DMA-48 densimeter. The partial molar volume, V m , of paracetamol in these solvents at different temperatures was evaluated by extrapolating the apparent molar volume versus molality plots to m = 0. In addition, the partial molar expansivity, E . , the isobaric coefficient of thermal expansion, α p , and the interaction coefficient, S v , have also been computed. The expansivity data show dependence of E . values on the structure of the solute molecules

  3. Partial molar volume of proteins studied by the three-dimensional reference interaction site model theory.

    Science.gov (United States)

    Imai, Takashi; Kovalenko, Andriy; Hirata, Fumio

    2005-04-14

    The three-dimensional reference interaction site model (3D-RISM) theory is applied to the analysis of hydration effects on the partial molar volume of proteins. For the native structure of some proteins, the partial molar volume is decomposed into geometric and hydration contributions using the 3D-RISM theory combined with the geometric volume calculation. The hydration contributions are correlated with the surface properties of the protein. The thermal volume, which is the volume of voids around the protein induced by the thermal fluctuation of water molecules, is directly proportional to the accessible surface area of the protein. The interaction volume, which is the contribution of electrostatic interactions between the protein and water molecules, is apparently governed by the charged atomic groups on the protein surface. The polar atomic groups do not make any contribution to the interaction volume. The volume differences between low- and high-pressure structures of lysozyme are also analyzed by the present method.

  4. Solute-solvent interactions in solutions of 2-hydroxy-5-chloro-3-nitroacetophenone isonicotinoylhydrazone in N, N-dimethylformamide at 298-313 K according to ultrasonic and viscometric data

    Science.gov (United States)

    Dikkar, A. B.; Pethe, G. B.; Aswar, A. S.

    2015-12-01

    Density (ρ), speed of sound ( u), and viscosity (η), measurements have been carried on 2-hydroxy- 5-chloro-3-nitroacetophenone isonicotinoylhydrazone (HCNAIH) in N, N-dimethylformamide at 298.15, 303.15, 308.15, and 313.15 K. Adiabatic compressibility (βs), intermolecular free length ( L f), acoustic impedance ( Z), internal pressure ( P int), the apparent molar volume ( V w), limiting apparent molar volume ( V w 0), partial molar expansibility (wE 0), apparent molar adiabatic compressibility ( K w), limiting apparent molar adiabatic compressibility ( K w 0), viscosity B coefficients of Jones-Dole equation have been calculated. The activation free energy (Δμ 2 0 *) for viscous flow in solution have been calculated from B coefficient and partial molar volume data. The calculated parameters are used to interpret the solute-solvent interactions and structure forming/breaking ability of solute in DMF.

  5. Determination of Partial Molar Volumes of EPA and DHA Ethyl Esters in Supercritical Carbon Dioxide

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The use of supercritical-fluid chromatography for determining partial molar volumes of ethyl esters of cis-5,8,11,14,17-eicosapentaenoic acid (EPA) and cis -4,7,10,13,16,19- docosa-hexaenoic acid (DHA) in supercritical carbon dioxide is presented and discussed. Partial molar volumes of EPA and DHA esters are obtained from the variation of the retention properties with the density of mobile phase at 313.15 K, 323.15 K, 333.15 K and in the pressure range from 9 MPa to 21 MPa.

  6. Deptermination of Partial Molar Volumes of EPA and DHA Ethyl Esters in Supercritical Carbon Dioxide

    Institute of Scientific and Technical Information of China (English)

    MeiHUANG; XianDaWANG; 等

    2002-01-01

    The use of supercritical-fluid shromatogrphy for determining partial molar volumes of ethyl esters of cis-5,8,11,14,17-eicosapentaenoic acid (EPA) and cis-4,7,10,13,16,19-docosa-hexaenoic acid(DHA) in supercritical carbon dioxide is presented and discussed. Partial molar volumes of EPA and DHA esters are obtained from the variation of the retention properties with the density of mobile phase at 313.15K,323.15K,333.15K and in the pressure range from 9 MPa to 21 MPa.

  7. Densities, excess molar volumes, and refractive indices of 1,1,2,2-tetrabromoethane and 1-alkanols binary mixtures

    International Nuclear Information System (INIS)

    Al-Hayan, M.N.M.; Al-Bader, Maher A.M.

    2006-01-01

    Densities, excess molar volumes, refractive indices, and changes in refractive index on mixing for (1,1,2,2-tetrabromoethane + 1-pentanol, or 1-hexanol, or 1-heptanol, or 1-octanol, or 1-decanol) have been determined at T = 293.15 K and at T = 303.15 K. The excess molar volumes and changes in refractive index have been fitted to Redlich-Kister polynomials. The effect of the chain length of the 1-alkanol on the excess molar volume and the change in the refractive index of its mixtures with 1,1,2,2-tetrabromoethane are discussed. In addition, the refractive indices are compared with calculated values using mixing rules proposed by several authors, and a good agreement is obtained

  8. Densities, excess molar volumes, and refractive indices of 1,1,2,2-tetrachloroethane and 1-alkanols binary mixtures

    International Nuclear Information System (INIS)

    Al-Hayan, M.N.M.

    2006-01-01

    Densities, excess molar volumes, refractive indices, and changes in refractive index on mixing for 1,1,2,2-tetrachloroethane + 1-pentanol, or 1-hexanol, or 1-heptanol, or 1-octanol, or 1-decanol have been determined at T = (293.15 and 303.15) K. The excess molar volumes and changes in refractive index have been fitted to Redlich-Kister polynomials. The effect of the chain length of the 1-alkanol on the excess molar volume and the change in the refractive index of its mixtures with 1,1,2,2-tetrachloroethane was discussed. In addition, the refractive indices were compared with calculated values using mixing rules proposed by several authors, and a very good agreement was obtained

  9. Densities and apparent molar volumes of atmospherically important electrolyte solutions. 1. The solutes H2SO4, HNO3, HCl, Na2SO4, NaNO3, NaCl, (NH4)2SO4, NH4NO3, and NH4Cl from 0 to 50 °C, including extrapolations to very low temperature and to the pure liquid state, and NaHSO4, NaOH, and NH3 at 25 °C.

    Science.gov (United States)

    Clegg, S L; Wexler, A S

    2011-04-21

    Calculations of the size and density of atmospheric aerosols are complicated by the fact that they can exist at concentrations highly supersaturated with respect to dissolved salts and supercooled with respect to ice. Densities and apparent molar volumes of solutes in aqueous solutions containing the solutes H(2)SO(4), HNO(3), HCl, Na(2)SO(4), NaNO(3), NaCl, (NH(4))(2)SO(4), NH(4)NO(3), and NH(4)Cl have been critically evaluated and represented using fitted equations from 0 to 50 °C or greater and from infinite dilution to concentrations saturated or supersaturated with respect to the dissolved salts. Using extrapolated densities of high-temperature solutions and melts, the relationship between density and concentration is extended to the hypothetical pure liquid solutes. Above a given reference concentration of a few mol kg(-1), it is observed that density increases almost linearly with decreasing temperature, and comparisons with available data below 0 °C suggest that the fitted equations for density can be extrapolated to very low temperatures. As concentration is decreased below the reference concentration, the variation of density with temperature tends to that of water (which decreases as temperature is reduced below 3.98 °C). In this region below the reference concentration, and below 0 °C, densities are calculated using extrapolated apparent molar volumes which are constrained to agree at the reference concentrations with an equation for the directly fitted density. Calculated volume properties agree well with available data at low temperatures, for both concentrated and dilute solutions. Comparisons are made with literature data for temperatures of maximum density. Apparent molar volumes at infinite dilution are consistent, on a single ion basis, to better than ±0.1 cm(3) mol(-1) from 0 to 50 °C. Volume properties of aqueous NaHSO(4), NaOH, and NH(3) have also been evaluated, at 25 °C only. In part 2 of this work (ref 1 ) an ion interaction (Pitzer

  10. Application of the PFV EoS correlation to excess molar volumes of (1-ethyl-3-methylimidazolium ethylsulfate + alkanols) at different temperatures

    International Nuclear Information System (INIS)

    Deenadayalu, N.; Sen, S.; Sibiya, P.N.

    2009-01-01

    The experimental densities for the binary systems of an ionic liquid and an alkanol {1-ethyl-3-methylimidazolium ethylsulfate [EMIM] + [EtSO 4 ] - + methanol or 1-propanol or 2-propanol} were determined at T = (298.15, 303.15, and 313.15) K. The excess molar volumes for the above systems were then calculated from the experimental density values for each temperature. The Redlich-Kister smoothing polynomial was used to fit the experimental results and the partial molar volumes were determined from the Redlich-Kister coefficients. For all the systems studied, the excess molar volume results were negative over the entire composition range for all the temperatures. The excess molar volumes were correlated with the pentic four parameter virial (PFV) equation of state (EoS) model

  11. Excess molar volumes and viscosities of binary mixtures of 1,2 ...

    Indian Academy of Sciences (India)

    Unknown

    organic solvents 2,3, the present paper reports the excess molar volumes. ) ( *E m. V ... measuring and comparing the viscosities of the pure liquids with the values reported in ..... RKB thanks the University Grants Commission, New Delhi for a fellowship and financial ... Dickinson E, Hunt D C and McLure I A 1975 J. Chem.

  12. Dilatometric measurement of the partial molar volume of water sorbed to durum wheat flour.

    Science.gov (United States)

    Hasegawa, Ayako; Ogawa, Takenobu; Adachi, Shuji

    2013-01-01

    Moisture sorption isotherms were measured at 25 °C for untreated, dry-heated and pre-gelatinized durum wheat flour samples. The isotherms could be expressed by the Guggenheim-Anderson-de Boer equation. The amount of water sorbed to the untreated flour was highest for low water activity, with water sorbed to the pre-gelatinized and dry-heated flour samples following. The dry-heated and pregelatinized flour samples exhibited the same dependence of the moisture content on the partial molar volume of water at 25 °C as the untreated flour. The partial molar volume of water was ca. 9 cm(3)/mol at a moisture content of 0.03 kg-H2O/kg-d.m. The volume increased with increasing moisture content, and reached a constant value of ca. 17.5 cm(3)/mol at a moisture content of 0.2 kg-H2O/kg-d.m. or higher.

  13. Solution properties and taste behavior of lactose monohydrate in aqueous ascorbic acid solutions at different temperatures: Volumetric and rheological approach.

    Science.gov (United States)

    Sarkar, Abhijit; Sinha, Biswajit

    2016-11-15

    The densities and viscosities of lactose monohydrate in aqueous ascorbic acid solutions with several molal concentrations m=(0.00-0.08)molkg(-1) of ascorbic acid were determined at T=(298.15-318.15)K and pressure p=101kPa. Using experimental data apparent molar volume (ϕV), standard partial molar volume (ϕV(0)), the slope (SV(∗)), apparent specific volumes (ϕVsp), standard isobaric partial molar expansibility (ϕE(0)) and its temperature dependence [Formula: see text] the viscosity B-coefficient and solvation number (Sn) were determined. Viscosity B-coefficients were further employed to obtain the free energies of activation of viscous flow per mole of the solvents (Δμ1(0≠)) and of the solute (Δμ2(0≠)). Effects of molality, solute structure and temperature and taste behavior were analyzed in terms of solute-solute and solute-solvent interactions; results revealed that the solutions are characterized predominantly by solute-solvent interactions and lactose monohydrate behaves as a long-range structure maker. Copyright © 2016 Elsevier Ltd. All rights reserved.

  14. Volumetric and viscometric studies of glucose in binary aqueous solutions of urea at different temperatures

    International Nuclear Information System (INIS)

    Samanta, T.; Saharay, S.K.

    2010-01-01

    Densities and viscosities of glucose in (1.0, 2.5, and 5.0) mass% aqueous urea solutions have been measured at T = (298.15, 303.15, 308.15, and 313.15) K, respectively. Apparent molar volumes, limiting partial molar volume, and relative viscosity have been obtained from the density and viscosity results. Limiting partial molar expansibilities have also been calculated from the temperature dependence of limiting partial molar volumes. The viscosity data have been analyzed by using the modified Jones-Dole equation. The results are used to establish the nature of solute-solute and solute-solvent interactions. Transition state treatment of the relative viscosity was also used for the calculation of activation parameters of viscous flow. Pour findings show that the solute acts as a water structure former and provides strong solute-solvent interaction.

  15. Volumetric and viscometric studies of urea in binary aqueous solutions of glucose at different temperatures

    International Nuclear Information System (INIS)

    Samanta, T.; Ray, A.

    2010-01-01

    Densities and viscosities of urea in (1.0, 2.5, and 5.0) mass% of aqueous glucose solutions have been measured at T = (298.15, 303.15, 308.15, and 313.15) K, respectively. Apparent molar volumes, limiting partial molar volume, and relative viscosity have been obtained from the density and viscosity data. Limiting partial molar expansibilities have also been calculated from the temperature dependence of limiting partial molar volumes. The viscosity data has been analyzed using the Jones-Dole equation. The results are used to establish the nature of solute-solute and solute-solvent interactions. The activation parameters of viscous flow have also been calculated on the basis of transition state treatment of the relative viscosity. Result shows that the solute acts as water structure breaker and posses' weak solute-solvent interaction.

  16. Solute-solvent interactions in 2,4-dihydroxyacetophenone isonicotinoylhydrazone solutions in N, N-dimethylformamide and dimethyl sulfoxide at 298-313 K on ultrasonic and viscometric data

    Science.gov (United States)

    Dikkar, A. B.; Pethe, G. B.; Aswar, A. S.

    2016-02-01

    The speed of sound ( u), density (ρ), and viscosity (η) of 2,4-dihydroxyacetophenone isonicotinoylhydrazone (DHAIH) have been measured in N, N-dimethyl formamide and dimethyl sulfoxide at equidistance temperatures 298.15, 303.15, 308.15, and 313.15 K. These data were used to calculate some important ultrasonic and thermodynamic parameters such as apparent molar volume ( V ϕ s st ), apparent molar compressibility ( K ϕ), partial molar volume ( V ϕ 0 ) and partial molar compressibility ( K ϕ 0 ), were estimated by using the values of ( V ϕ 0 ) and ( K ϕ), at infinite dilution. Partial molar expansion at infinite dilution, (ϕ E 0 ) has also been calculated from temperature dependence of partial molar volume V ϕ 0 . The viscosity data have been analyzed using the Jones-Dole equation, and the viscosity, B coefficients are calculated. The activation free energy has been calculated from B coefficients and partial molar volume data. The results have been discussed in the term of solute-solvent interaction occurring in solutions and it was found that DHAIH acts as a structure maker in present systems.

  17. Apparent molar volumes and apparent molar heat capacities of aqueous adonitol, dulcitol, glycerol, meso-erythritol, myo-inositol, D-sorbitol, and xylitol at temperatures from (278.15 to 368.15) K and at the pressure 0.35 MPa

    Energy Technology Data Exchange (ETDEWEB)

    Blodgett, M.B. [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT, 84602-5700 (United States); Ziemer, S.P. [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT, 84602-5700 (United States); Brown, B.R. [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT, 84602-5700 (United States); Niederhauser, T.L. [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT, 84602-5700 (United States); Woolley, E.M. [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT, 84602-5700 (United States)]. E-mail: earl_woolley@byu.edu

    2007-04-15

    Apparent molar volumes V {sub {phi}} were determined for aqueous adonitol, dulcitol, glycerol, meso-erythritol, myo-inositol, D-sorbitol, and xylitol at temperatures from (278.15 to 368.15) K and at the pressure 0.35 MPa, and apparent molar heat capacities C {sub p,{phi}} of the same solutions were determined at temperatures from (278.15 to 363.15) K at the same pressure. Molalities m/(mol . kg{sup -1}) of the solutions were in the range (0.02 {<=} m {<=} 3.2) for adonitol, (0.02 {<=} m {<=} 0.15) for dulcitol, (0.02 {<=} m {<=} 5.0) for glycerol, (0.02 {<=} m {<=} 3.0) for meso-erythritol, (0.02 {<=} m {<=} 0.5) for myo-inositol, (0.02 {<=} m {<=} 2.0) for D-sorbitol, and (0.02 {<=} m {<=} 2.7) for xylitol. A vibrating tube densimeter was used to obtain solution densities and a fixed-cell temperature scanning calorimeter was used to obtain heat capacities. Values of V {sub {phi}} and C {sub p,{phi}} for these sugar alcohols are discussed relative to one another and compared to values from the literature, where available.

  18. Infinite dilution partial molar volumes of platinum(II) 2,4-pentanedionate in supercritical carbon dioxide.

    Science.gov (United States)

    Kong, Chang Yi; Siratori, Tomoya; Funazukuri, Toshitaka; Wang, Guosheng

    2014-10-03

    The effects of temperature and density on retention of platinum(II) 2,4-pentanedionate in supercritical fluid chromatography were investigated at temperatures of 308.15-343.15K and pressure range from 8 to 40MPa by the chromatographic impulse response method with curve fitting. The retention factors were utilized to derive the infinite dilution partial molar volumes of platinum(II) 2,4-pentanedionate in supercritical carbon dioxide. The determined partial molar volumes were small and positive at high pressures but exhibited very large and negative values in the highly compressible near critical region of carbon dioxide. Copyright © 2014 Elsevier B.V. All rights reserved.

  19. Standard partial molar heat capacities and enthalpies of formation of aqueous aluminate under hydrothermal conditions from integral heat of solution measurements

    International Nuclear Information System (INIS)

    Coulier, Yohann; Tremaine, Peter R.

    2014-01-01

    Highlights: • Heats of solution of NaAlO 2 (s) were measured at five temperatures up to 250 °C. • Standard molar enthalpies of solution were determined from the measured heats of solution. • Standard molar enthalpies of solution were correlated with the density model. • The density model allows us to determine the standard molar heat capacities of reaction. - Abstract: Heats of solution of sodium aluminum oxide, NaAlO 2 (s), were measured in aqueous sodium hydroxide solutions using a Tian–Calvet heat-flow calorimeter (Setaram, Model C80) with high pressure “batch cells” made of hastelloy C-276, at five temperatures from (373.15 to 523.15) K, steam saturation pressure, and concentrations from (0.02 to 0.09) mol · kg −1 . Standard molar enthalpies of solution, Δ soln H ∘ , and relative standard molar enthalpies, [H ∘ (T) − H ∘ (298.15 K)], of NaAl(OH) 4 (aq) were determined from the measured heats of solution. The results were fitted with the “density” model. The temperature dependence of Δ soln H ∘ from the model yielded the standard molar heat capacities of reaction, Δ soln C p ∘ , from which standard partial molar heat capacities for aqueous aluminate, C p ∘ [A1(OH) 4 − ,aq], were calculated. Standard partial molar enthalpies of formation, Δ f H ∘ , and entropies, S ∘ , of A1(OH) 4 − (aq) were also determined. The values for C p ∘ [A1(OH) 4 − ,aq] agree with literature data determined up to T = 413 K from enthalpy of solution and heat capacity measurements to within the combined experimental uncertainties. They are consistent with differential heat capacity measurements up to T = 573 K from Schrödle et al. (2010) [29] using the same calorimeter, but this method has the advantage that measurements could be made at much lower concentrations in the presence of an excess concentration of ligand. To our knowledge, these are the first standard partial molar heat capacities measured under hydrothermal conditions by the

  20. Excess molar volumes and isentropic compressibility of binary systems {trioctylmethylammonium bis(trifluoromethysulfonyl)imide + methanol or ethanol or 1-propanol} at different temperatures

    International Nuclear Information System (INIS)

    Sibiya, P.N.; Deenadayalu, N.

    2008-01-01

    This paper reports measurements of densities for the binary systems of an ionic liquid and an alkanol at T = (298.15, 303.15, and 313.15) K. The IL is trioctylmethylammonium bis(trifluoromethylsulfonyl)imide [OMA] + [Tf 2 N] - and the alkanols are methanol, or ethanol, or 1-propanol. The speed of sound at T = 298.15 K for the same binary systems was also measured. The excess molar volumes and the isentropic compressibilities for the above systems were then calculated from the experimental densities and the speed of sound, respectively. Redlich-Kister smoothing polynomial equation was used to fit the excess molar volume and the deviation in isentropic compressibility data. The partial molar volumes were determined from the Redlich-Kister coefficients. For all the systems studied, the excess molar volumes have both negative and positive values, while the deviations in isentropic compressibility are negative over the entire composition range

  1. Apparent molar volumes and isentropic compressibilities of benzyltrialkylammonium chlorides in water at (293.15, 303.15, 313.15, 323.15, and 333.15) K

    International Nuclear Information System (INIS)

    Duman, Osman; Ayranci, Erol

    2009-01-01

    Densities and ultrasound speeds of benzyltrialkylammonium chlorides (BTAACls) were measured accurately in aqueous solutions at five temperatures (293.15, 303.15, 313.15, 323.15, and 333.15) K. The data were utilized in determining apparent molar volumes, V Φ , and apparent molar isentropic compressibilities, K SΦ . Infinite dilution values of these apparent molar quantities, V Φ 0 andK SΦ 0 , were determined by extrapolation procedures. Contribution of CH 2 groups, along the alkyl groups of BTAACls, to V Φ 0 andK SΦ 0 values were derived from plots of these quantities as a function of number of additional CH 2 groups in going from benzyltrimethylammonium chloride to benzyltributylammonium chloride. The temperature dependencies of V Φ 0 andK SΦ 0 values were examined on the basis of isobaric expansivity. Apparent molar isobaric expansivities at infinite dilution, E Φ 0 , were obtained from the slopes of V Φ 0 versus temperature data. Concentration dependencies of V Φ and K SΦ were examined. A fair correlation was observed between V Φ 0 andK SΦ 0 values of the three BTAACls.

  2. Thermodynamic properties of binary mixtures of tetrahydropyran with pyridine and isomeric picolines: Excess molar volumes, excess molar enthalpies and excess isentropic compressibilities

    International Nuclear Information System (INIS)

    Saini, Neeti; Jangra, Sunil K.; Yadav, J.S.; Sharma, Dimple; Sharma, V.K.

    2011-01-01

    Research highlights: → Densities, ρ and speeds of sound, u of tetrahydropyran (i) + pyridine or α-, β- or γ-picoline (j) binary mixtures at 298.15, 303.15 and 308.15 K and excess molar enthalpies, H E of the same set of mixtures at 308.15 K have been measured as a function of composition. → The observed densities and speeds of sound values have been employed to determine excess molar volumes, V E and excess isentropic compressibilities, κ S E . → Topology of the constituents of mixtures has been utilized (Graph theory) successfully to predict V E , H E and κ S E data of the investigated mixtures. → Thermodynamic data of the various mixtures have also been analyzed in terms of Prigogine-Flory-Patterson (PFP) theory. - Abstract: Densities, ρ and speeds of sound, u of tetrahydropyran (i) + pyridine or α-, β- or γ- picoline (j) binary mixtures at 298.15, 303.15 and 308.15 K and excess molar enthalpies, H E of the same set of mixtures at 308.15 K have been measured as a function of composition using an anton Parr vibrating-tube digital density and sound analyzer (model DSA 5000) and 2-drop micro-calorimeter, respectively. The resulting density and speed of sound data of the investigated mixtures have been utilized to predict excess molar volumes, V E and excess isentropic compressibilities, κ S E . The observed data have been analyzed in terms of (i) Graph theory; (ii) Prigogine-Flory-Patterson theory. It has been observed that V E , H E and κ S E data predicted by Graph theory compare well with their experimental values.

  3. Apparent molar volumes and compressibilities of lanthanum, gadolinium, lutetium and sodium trifluoromethanesulfonates in N,N-dimethylformamide and N,N-dimethylacetamide

    International Nuclear Information System (INIS)

    Warmińska, Dorota; Fuchs, Anna; Lundberg, Daniel

    2013-01-01

    Highlights: ► In DMF the sequence values of both volumes and compressibilities of Ln 3+ ions are: La 3+ ≈ Gd 3+ > Lu 3+ . ► In DMA the ionic volumes of lanthanoid(III) metal ions are, within error limits, identical. ► Obtained results are the consequence of an ion–solvent bonding nature. -- Abstract: The concentration and temperature dependencies of density of lanthanum, gadolinium, lutetium and sodium trifluoromethanesulfonates in N,N-dimethylformamide (DMF) and N,N-dimethylacetamide (DMA) have been determined. From density data the apparent molar volumes and partial molar volumes of the salts at infinite dilution as well as the expansibilities have been evaluated. The apparent molar isentropic compressibilities of lanthanum, gadolinium, lutetium and sodium trifluoromethanesulfonates in DMF and DMA have been calculated from sound velocity data obtained at 298.15 K. The results have been discussed in terms of ion–solvent interactions

  4. Apparent molar volumes and apparent molar heat capacities of aqueous adonitol, dulcitol, glycerol, meso-erythritol, myo-inositol, D-sorbitol, and xylitol at temperatures from (278.15 to 368.15) K and at the pressure 0.35 MPa

    International Nuclear Information System (INIS)

    Blodgett, M.B.; Ziemer, S.P.; Brown, B.R.; Niederhauser, T.L.; Woolley, E.M.

    2007-01-01

    Apparent molar volumes V φ were determined for aqueous adonitol, dulcitol, glycerol, meso-erythritol, myo-inositol, D-sorbitol, and xylitol at temperatures from (278.15 to 368.15) K and at the pressure 0.35 MPa, and apparent molar heat capacities C p,φ of the same solutions were determined at temperatures from (278.15 to 363.15) K at the same pressure. Molalities m/(mol . kg -1 ) of the solutions were in the range (0.02 ≤ m ≤ 3.2) for adonitol, (0.02 ≤ m ≤ 0.15) for dulcitol, (0.02 ≤ m ≤ 5.0) for glycerol, (0.02 ≤ m ≤ 3.0) for meso-erythritol, (0.02 ≤ m ≤ 0.5) for myo-inositol, (0.02 ≤ m ≤ 2.0) for D-sorbitol, and (0.02 ≤ m ≤ 2.7) for xylitol. A vibrating tube densimeter was used to obtain solution densities and a fixed-cell temperature scanning calorimeter was used to obtain heat capacities. Values of V φ and C p,φ for these sugar alcohols are discussed relative to one another and compared to values from the literature, where available

  5. Solvation behaviour of biologically active compounds in aqueous solutions of antibacterial drug amoxicillin at different temperatures

    International Nuclear Information System (INIS)

    Singla, Meenu; Kumar, Harsh; Jindal, Rajeev

    2014-01-01

    Highlights: • Densities and speeds of sound of amino acids in aqueous amoxicillin solutions. • Partial molar volumes and compressibility of transfer. • Group contribution have been calculated. • (Ion + hydrophilic) and (hydrophilic + hydrophilic) interactions are present. • Pair-wise interactions are dominant in the mixtures. - Abstract: The interactions of glycine (Gly), L-alanine (Ala), L-valine (Val) and L-Leucine (Leu) with drug amoxicillin (AMX) as a function of temperature have been investigated by combination of volumetric and acoustic measurements. Densities and speeds of sound of amino acids in aqueous solutions of amoxicillin have been measured at T = (305.15, 310.15 and 315.15) K and atmospheric pressure. The apparent molar volume (V ϕ ), the partial molar volume (V ϕ 0 ) and standard partial molar volumes of transfer (ΔV ϕ 0 ) for amino acids from water to aqueous amoxicillin solutions have been calculated from density data. Group contributions of amino acids to partial molar volume were determined. Partial molar isentropic compression (κ ϕ,s ) and partial molar isentropic compression of transfer (Δκ ϕ,S 0 ) have been calculated from speed of sound data. The pair and triplet interaction coefficient have been calculated from both the properties. The results have been explained based on competing patterns of interactions of co-solvents and the solute

  6. A Comparison of Different Volumes of Articaine for Inferior Alveolar Nerve Block for Molar Teeth with Symptomatic Irreversible Pulpitis.

    Science.gov (United States)

    Abazarpoor, Ramin; Parirokh, Masoud; Nakhaee, Nouzar; Abbott, Paul V

    2015-09-01

    Achieving anesthesia in mandibular molar teeth with irreversible pulpitis is very difficult. The aim of this study was to compare the efficacy of 1.8 mL and 3.6 mL articaine for an inferior alveolar nerve block (IANB) when treating molars with symptomatic irreversible pulpitis. In a randomized, double-blind clinical trial, 82 first mandibular molar teeth with symptomatic irreversible pulpitis randomly received conventional IANB injection either with 1 (1.8 mL) or 2 cartridges (3.6 mL) of 4% articaine with 1:100,000 epinephrine. The patients recorded their pain before and during access cavity preparation as well as during root canal instrumentation using a Heft-Parker visual analog scale. No or mild pain was considered as successful anesthesia. Data were analyzed by t and chi-square tests. Eighty patients were eligible to participate in this study, which showed that 3.6 mL articaine provided a significantly higher success rate (77.5%) of IANBs compared with 1.8 mL of the same anesthetic solution (27.5%) although neither group had 100% successful anesthesia (P < .001). Increasing the volume of articaine provided a significantly higher success rate of IANBs in mandibular first molar teeth with symptomatic irreversible pulpitis, but it did not result in 100% anesthetic success. Copyright © 2015 American Association of Endodontists. Published by Elsevier Inc. All rights reserved.

  7. Calculation of partial molar volume of components in supercritical ammonia synthesis system

    Institute of Scientific and Technical Information of China (English)

    Cunwen WANG; Chuanbo YU; Wen CHEN; Weiguo WANG; Yuanxin WU; Junfeng ZHANG

    2008-01-01

    The partial molar volumes of components in supercritical ammonia synthesis system are calculated in detail by the calculation formula of partial molar volume derived from the R-K equation of state under different conditions. The objectives are to comprehend phase beha-vior of components and to provide the theoretic explana-tion and guidance for probing novel processes of ammonia synthesis under supercritical conditions. The conditions of calculation are H2/N2= 3, at a concentra-tion of NH3 in synthesis gas ranging from 2% to 15%, Concentration of medium in supercritical ammonia syn-thesis system ranging from 20% to 50%, temperature ran-ging from 243 K to 699 K and pressure ranging from 0.1 MPa to 187 MPa. The results show that the ammonia synthesis system can reach supercritical state by adding a suitable supercritical medium and then controlling the reaction conditions. It is helpful for the supercritical ammonia synthesis that medium reaches supercritical state under the conditions of the corresponding total pres-sure and components near the normal temperature or near the critical temperature of medium or in the range of tem-perature of industrialized ammonia synthesis.

  8. Hydration of alcohol clusters in 1-propanol-water mixture studied by quasielastic neutron scattering and an interpretation of anomalous excess partial molar volume.

    Science.gov (United States)

    Misawa, M; Inamura, Y; Hosaka, D; Yamamuro, O

    2006-08-21

    Quasielastic neutron scattering measurements have been made for 1-propanol-water mixtures in a range of alcohol concentration from 0.0 to 0.167 in mole fraction at 25 degrees C. Fraction alpha of water molecules hydrated to fractal surface of alcohol clusters in 1-propanol-water mixture was obtained as a function of alcohol concentration. Average hydration number N(ws) of 1-propanol molecule is derived from the value of alpha as a function of alcohol concentration. By extrapolating N(ws) to infinite dilution, we obtain values of 12-13 as hydration number of isolated 1-propanol molecule. A simple interpretation of structural origin of anomalous excess partial molar volume of water is proposed and as a result a simple equation for the excess partial molar volume is deduced in terms of alpha. Calculated values of the excess partial molar volumes of water and 1-propanol and the excess molar volume of the mixture are in good agreement with experimental values.

  9. Molar volume, thermal expansivity and isothermal compressibility of trans-decahydronaphthalene up to 200MPa and 446K

    Institute of Scientific and Technical Information of China (English)

    Zhu Hu-Gang; Liu Zhi-Hua; Tian Yi-Ling; Xue Yuan; Yin Liang

    2005-01-01

    The molar volume isotherms of trans-decahydronaphthalene (C10H18) between 293 and 446 K and at pressures from 10 to 200 MPa have been determined. A modified Tait equation of state is used to fit each experimental molar volume isotherm with a maximum average deviation of 0.029%. The thermal expansivity (cubic expansion coefficient) α and isothermal compressibility κ were determined by fitting the slopes of the isobaric curves and isotherms, respectively.The coefficients in the equation Vm = C1 + C2T + C3T2 - C4p - C5pT have been fitted with an average deviation of 1.03%.

  10. Osmotic coefficients and apparent molar volumes of 1-hexyl-3-methylimidazolium trifluoromethanesulfonate ionic liquid in alcohols

    International Nuclear Information System (INIS)

    González, Emilio J.; Calvar, Noelia; Macedo, Eugénia A.

    2014-01-01

    Highlights: • Physical and osmotic properties of [HMim][TfO] in alcohols are reported. • Apparent molar properties and osmotic coefficients were obtained. • Apparent molar volumes were fitted using a Redlich–Meyer type equation. • The osmotic coefficients were modeled with the Extended Pitzer and the MNRTL models. -- Abstract: In this work, density for the binary mixtures of 1-hexyl-3-methylimidazolium trifluoromethanesulfonate in alcohols (1-propanol, or 2-propanol, or 1-butanol, or 2-butanol, or 1-pentanol) was measured at T = 323.15 K and atmospheric pressure. From this property, the corresponding apparent molar volumes were calculated and fitted to a Redlich–Meyer type equation. For these mixtures, the osmotic and activity coefficients, and vapor pressures of these binary systems were also determined at the same temperature using the vapor pressure osmometry technique. The experimental osmotic coefficients were modeled by the Extended Pitzer model of Archer. The parameters obtained in this correlation were used to calculate the mean molal activity coefficients and the excess Gibbs free energy for the studied mixtures

  11. Molar volume, excess enthalpy, and Prigogine-Defay ratio of some silicate glasses with different (P,T) histories.

    Science.gov (United States)

    Wondraczek, Lothar; Behrens, Harald

    2007-10-21

    Structural relaxation in silicate glasses with different (p,T) histories was experimentally examined by differential scanning calorimetry and measurements of molar volume under ambient pressure. Temperature and pressure-dependent rates of changes in molar volume and generation of excess enthalpy were determined for sodium trisilicate, soda lime silicate, and sodium borosilicate (NBS) compositions. From the derived data, Prigogine-Defay ratios are calculated and discussed. Changes of excess enthalpy are governed mainly by changes in short-range structure, as is shown for NBS where boron coordination is highly sensitive to pressure. For all three glasses, it is shown how the relaxation functions that underlie volume, enthalpy, and structural relaxation decouple for changes in cooling rates and pressure of freezing, respectively. The magnitude of the divergence between enthalpy and volume may be related to differences in structural sensitivity to changes in the (p,V,T,t) space on different length scales. The findings suggest that the Prigogine-Defay ratio is related to the magnitude of the discussed decoupling effect.

  12. Enthalpy of dilution and volumetric properties of N-glycylglycine in aqueous xylitol solutions at T = 298.15 K

    Energy Technology Data Exchange (ETDEWEB)

    Liu Min, E-mail: panpanliumin@163.co [College of Chemistry and Chemical Engineering, Liao Cheng University, Liaocheng, Shandong 252059 (China); Wang Lili; Li Guangqian; Dong Lina; Sun Dezhi [College of Chemistry and Chemical Engineering, Liao Cheng University, Liaocheng, Shandong 252059 (China); Zhu Lanying [College of Life Science and Bioengineering, Liao Cheng University, Liaocheng, Shandong 252059 (China); Di Youying [College of Chemistry and Chemical Engineering, Liao Cheng University, Liaocheng, Shandong 252059 (China)

    2011-06-15

    Highlights: Enthalpies of dilution of N-glycylglycine in aqueous xylitol solutions were determined at 298.15 K. The homogeneous enthalpic interaction coefficients were calculated. Apparent molar volumes of the ternary systems were calculated from the data of densities. Limiting partial molar volumes and limiting partial molar volumes of transfer were deduced. - Abstract: The enthalpy of dilution of N-glycylglycine ({Delta}{sub dil}H{sub m}) in aqueous xylitol solutions has been determined by means of flow-mix isothermal microcalorimetry at the temperature of 298.15 K. The homogeneous enthalpic interaction coefficients (h{sub 2}, h{sub 3}, and h{sub 4}) which characterize the interactions of examined N-glycylglycine in aqueous xylitol solutions have been calculated according to the excess enthalpy concept based on the values of dilution enthalpy. It has been found that the enthalpic pair interaction coefficients (h{sub 2}) in the systems investigated are negative and become less negative as the molality of xylitol increases. Values of the density ({rho}) of the ternary homogeneous systems were also measured with a quartz vibrating-tube densimeter at the temperature of 298.15 K. The values of the apparent molar volume (V{sub {phi}}) of the ternary systems were calculated from the data of density, which have been used to deduce limiting partial molar volumes of N-glycylglycine (V{sub {phi}}{sup o}) and limiting partial molar volumes of transfer ({Delta}{sub trs}V{sub {phi}}{sup o}) from water to aqueous xylitol solutions at different concentrations. The results have been discussed based on solute-solute interactions and solvation effects.

  13. Enthalpy of dilution and volumetric properties of N-glycylglycine in aqueous xylitol solutions at T = 298.15 K

    International Nuclear Information System (INIS)

    Liu Min; Wang Lili; Li Guangqian; Dong Lina; Sun Dezhi; Zhu Lanying; Di Youying

    2011-01-01

    Highlights: → Enthalpies of dilution of N-glycylglycine in aqueous xylitol solutions were determined at 298.15 K. → The homogeneous enthalpic interaction coefficients were calculated. → Apparent molar volumes of the ternary systems were calculated from the data of densities. → Limiting partial molar volumes and limiting partial molar volumes of transfer were deduced. - Abstract: The enthalpy of dilution of N-glycylglycine (Δ dil H m ) in aqueous xylitol solutions has been determined by means of flow-mix isothermal microcalorimetry at the temperature of 298.15 K. The homogeneous enthalpic interaction coefficients (h 2 , h 3 , and h 4 ) which characterize the interactions of examined N-glycylglycine in aqueous xylitol solutions have been calculated according to the excess enthalpy concept based on the values of dilution enthalpy. It has been found that the enthalpic pair interaction coefficients (h 2 ) in the systems investigated are negative and become less negative as the molality of xylitol increases. Values of the density (ρ) of the ternary homogeneous systems were also measured with a quartz vibrating-tube densimeter at the temperature of 298.15 K. The values of the apparent molar volume (V φ ) of the ternary systems were calculated from the data of density, which have been used to deduce limiting partial molar volumes of N-glycylglycine (V φ o ) and limiting partial molar volumes of transfer (Δ trs V φ o ) from water to aqueous xylitol solutions at different concentrations. The results have been discussed based on solute-solute interactions and solvation effects.

  14. A Structural Molar Volume Model for Oxide Melts Part III: Fe Oxide-Containing Melts

    Science.gov (United States)

    Thibodeau, Eric; Gheribi, Aimen E.; Jung, In-Ho

    2016-04-01

    As part III of this series, the model is extended to iron oxide-containing melts. All available experimental data in the FeO-Fe2O3-Na2O-K2O-MgO-CaO-MnO-Al2O3-SiO2 system were critically evaluated based on the experimental condition. The variations of FeO and Fe2O3 in the melts were taken into account by using FactSage to calculate the Fe2+/Fe3+ distribution. The molar volume model with unary and binary model parameters can be used to predict the molar volume of the molten oxide of the Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-FeO-Fe2O3-Al2O3-SiO2 system in the entire range of compositions, temperatures, and oxygen partial pressures from Fe saturation to 1 atm pressure.

  15. A NOVEL INTERPRETATION OF CONCENTRATION DEPENDENCE OF VISCOSITY OF DILUTE POLYMER SOLUTION

    Institute of Scientific and Technical Information of China (English)

    Yan Pan; Rong-shi Cheng

    2000-01-01

    The concentration dependence of the reduced viscosity of dilute polymer solution is interpreted in the light of a new concept of the self-association of polymer chains in dilute solution. The apparent self-association constant is defined as the molar association constant divided by the molar mass of individual polymer chain and is numerically interconvertible with the Huggins coefficient. The molar association constant is directly proportional to the effective hydrodynamic volume of the polymer chain in solution and is irrespective of the chain architecture. The effective hydrodynamic volume accounts for the non-spherical conformation of a short polymer chain in solution and is a product of a shape factor and hydrodynamic volume. The observed enhancement of Huggins coefficient for short chain and branched polymer is satisfactorily interpreted by the concept of self-association. The concept of self-association allows us to predict the existence of a boundary concentration Cs (dynamic contact concentration) which divides the dilute polymer solution into two regions.

  16. Application of Prigogine-Flory-Patterson theory to excess molar volume of mixtures of 1-butyl-3-methylimidazolium ionic liquids with N-methyl-2-pyrrolidinone

    International Nuclear Information System (INIS)

    Qi Feng; Wang Haijun

    2009-01-01

    The densities of two binary mixtures formed by 1-butyl-3-methylimidazolium tetrafluoroborate [bmim][BF 4 ] and 1-butyl-3-methy limidazolium hexafluorophosphate [bmim][PF 6 ] with compound N-methyl-2-pyrrolidinone have been determined over the full range of composition and range of temperature from (298.15 to 313.15) K and at atmospheric pressure using a vibrating-tube densimeter (DMA4500). Excess molar volumes, V m E , have been obtained from these experimental results, and been fitted by the fourth-order Redlich-Kister equation. From the experimental results, partial molar volumes, apparent molar volume and partial molar volumes at infinite dilution were calculated over the whole composition range. Our results show that V m E decreases slightly when temperature increases in the systems studied. The experimental results have been used to test the applicability of the Prigogine-Flory-Patterson (PFP) theory. The results have been interpreted in terms of ion-dipole interactions and structural factors of the ionic liquid and these organic molecular liquids

  17. Comparison of various state equations for approximation and extrapolation of experimental hydrogen molar volumes in wide temperature and pressure intervals

    International Nuclear Information System (INIS)

    Didyk, A.Yu.; Altynov, V.A.; Wisniewski, R.

    2009-01-01

    The numerical analysis of practically all existing formulae such as expansion series, Tait, logarithm, Van der Waals and virial equations for interpolation of experimental molar volumes versus high pressure was carried out. One can conclude that extrapolating dependences of molar volumes versus pressure and temperature can be valid. It was shown that virial equations can be used for fitting experimental data at relatively low pressures P<3 kbar too in distinction to other equations. Direct solving of a linear equation of the third order relatively to volume using extrapolated virial coefficients allows us to obtain good agreement between existing experimental data for high pressure and calculated values

  18. Apparent molar volumes and apparent molar heat capacities of aqueous tetrahydrofuran, dimethyl sulfoxide, 1,4-dioxane, and 1,2-dimethoxyethane at temperatures from 278.15 K to 393.15 K and at the pressure 0.35 MPa

    International Nuclear Information System (INIS)

    Swenson, D.M.; Blodgett, M.B.; Ziemer, S.P.; Woolley, E.M.

    2008-01-01

    We determined apparent molar volumes V φ at 278.15 ≤ (T/K) ≤ 368.15 and apparent molar heat capacities C p,φ at 278.15 ≤ (T/K) ≤ 393.15 at p = 0.35 MPa for aqueous solutions of tetrahydrofuran at m from (0.016 to 2.5) mol . kg -1 , dimethyl sulfoxide at m from (0.02 to 3.0) mol . kg -1 , 1,4-dioxane at m from (0.015 to 2.0) mol . kg -1 , and 1,2-dimethoxyethane at m from (0.01 to 2.0) mol . kg -1 . Values of V φ were determined from densities measured with a vibrating-tube densimeter, and values of C p,φ were determined with a twin fixed-cell, differential, temperature-scanning calorimeter. Empirical functions of m and T for each compound were fitted to our V φ and C p,φ results

  19. Volumetric, ultrasonic and viscometric studies of solute–solute and solute–solvent interactions of l-threonine in aqueous-sucrose solutions at different temperatures

    International Nuclear Information System (INIS)

    Nain, Anil Kumar; Pal, Renu; Neetu

    2013-01-01

    Highlights: • The study reports density, ultrasonic speed and viscosity data of l-threonine in aqueous-sucrose solutions. • The study elucidates interactions of l-threonine with sucrose in aqueous media. • Provides data to estimate physicochemical properties of proteins in these media. • Correlates physicochemical properties of l-threonine with its behaviour in aqueous-sucrose solutions. -- Abstract: Densities, ρ of solutions of l-threonine in aqueous-sucrose solvents 5%, 10%, 15%, and 20% of sucrose, w/w in water at T = (293.15, 298.15, 303.15, 308.15, 313.15, and 318.15) K; and ultrasonic speeds, u and viscosities, η of these solutions at 298.15, 303.15, 308.15, 313.15, and 318.15 K were measured at atmospheric pressure. From these experimental results, the apparent molar volume, V ϕ , limiting apparent molar volume, V ϕ ∘ and the slope, S v , apparent molar compressibility, K s,ϕ , limiting apparent molar compressibility, K s,ϕ ∘ and the slope, S k , transfer volume, V ϕ,tr ∘ , transfer compressibility, K s,ϕ,tr ∘ , limiting apparent molar expansivity, E ϕ ∘ , Hepler’s constant, (∂ 2 V ϕ ∘ /dT 2 ), Falkenhagen coefficient, A, Jones–Dole coefficient, B and hydration number, n H have been calculated. The results have been interpreted in terms of solute–solvent and solute–solute interactions in these systems. The Gibbs energies of activation of viscous flow per mole of solvent, Δμ 1 ∘number sign and per mole of solute, Δμ 2 ∘number sign were also calculated and discussed in terms of transition state theory. It has been observed that there exist strong solute–solvent interactions in these systems and these interactions increase with increase in sucrose concentration in solution

  20. Improved method to determine the molar volume and compositions of the NaCl-H2O-CO2 system inclusion

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    On the basis of Parry’s method (1986), an improved method was established to determine the molar volume (Vm) and compositions (X) of the NaCl-H2O-CO2 (NHC) system inclusion. To use this method, the determination of Vm-X only requires three microthermometric data of a NHC inclusion: partial homog-enization temperature (Th ,CO2), salinity (S) and total homogenization temperature (Th). Theoretically, four associated equations are needed containing four unknown parameters: X CO2, XNaCl, Vm and F (volume fraction of CO2 phase in total inclusion when occurring partial homogenization). When they are released, the Vm-X are determined. The former three equations, only correlated with Th ,CO2, S and F, have simplified expressions:XCO2=f1(Th,CO2,S,F),XNaCl=f2(Th,CO2,S,F),Vm=f3(Th,CO2,S,F). The last one is the thermodynamic relationship of X CO2, XNaCl, Vm and Th:f4(XCO2,XNaCl,Vm,Th)=0.Since the above four associated equations are complicated, it is necessary to adopt iterative technique to release them. The technique can be described by:(i) Freely input a F value (0≤F≤1),with Th ,CO2 and S, into the former three equations. As a result,X CO 2,XNaCl and the molar volume value recorded as Vm1 are derived. (ii) Input the X CO2 and XNaCl gotten in the step above into the last equation, and another molar volume value recorded as Vm2 is determined. (iii) If Vm1 is unequal to Vm2, the calculation will be restarted from “(i)”. The iteration is completed until Vm1 is equal to Vm2, which means that the four associated equations are released. Compared to Parry’s (1986) solution method, the improved method is more convenient to use, as well as more accurate to determine X CO 2. It is available for a NHC inlusion whose partial homogenization temperature is higher than clatherate melting temperature and there are no solid salt crystals in the inclusion at parital homogenization.

  1. Improved method to determine the molar volume and compositions of the NaCl-H2O-CO2 system inclusion

    Institute of Scientific and Technical Information of China (English)

    SONG YuCai; HU WenXuan; NI Pei; DUAN ZhenHao; ZHANG XueFeng

    2007-01-01

    On the basis of Parry's method (1986),an improved method was established to determine the molar volume(Vm)and compositions(X)of the NaCl-H2O-CO2(NHC)system inclusion.To use this method,the determination of Vm-X only requires three microthermometric data of a NHC inclusion:partial homogenization temperature(Th,CO2),salinity(s)and total homogenization temperature(Th).Theoretically,four associated equations are needed containing four unknown parameters:Xco2,XNcl,Vm and F (volume fraction of CO2 phase in total inclusion when occurring partial homogenization).When they are released,the Vm-X are determined.The former three equations,only correlated with Th,co2,S and F,have simplified expressions:XCO2=f1(Th,CO2,S,F),XNaCl=f2(Th,CO2,S,F),Vm=f3(Th,CO2,S,F).The last one is the thermodynamic relationship of Xco2,Xnacl,vm and Th:f4(XCO2,XNacl,Vm,Th)=0. Since the above four associated equations are complicated,it is necessary to adopt iterative technique to release them.The technique can be described by:(i)Freely input a F value(0≤F≤1),with Th,co2 and S,into the former three equations.As a result,Xco2,XNacl and the molar volume value recorded as Vm1 are derived.(ii)Input the Xco2 and XNacl gotten in the step above into the last equation,and another molar volume value recorded as Vm2 is determined.(iii) If Vm1 is unequal to Vm2,the calculation will be restarted from"(i)".The iteration is completed until Vm1 is equal to Vm2,which means that the four associated equations are released.Compared to Parry's (1986) solution method,the improved method is more convenient to use,as well as more accurate to determine Xco2.It is available for a NHC inlusion whose partial homogenization temperature is higher than clatherate melting temperature and there are no solid salt crystals in the inclusion at parital homogenization.

  2. Excess molar volumes and viscosities of (1,1,2,2-tetrabromoethane + 1-alkanols) at T = (293.15 and 303.15) K

    International Nuclear Information System (INIS)

    Al-Hayan, M.N.M.; Abdul-latif, Abdul-Haq M.

    2006-01-01

    Density and viscosity measurements for binary mixtures of (1,1,2,2-tetrabromoethane + 1-pentanol, or + 1-hexanol, or + 1-heptanol, or + 1-octanol, or + 1-decanol) at T = (293.15 and 303.15) K, have been conducted at atmospheric pressure. The excess molar volumes V E , have been calculated from the experimental measurements, and the results were fitted to Redlich-Kister equation. The viscosity data were correlated with the model of Grunberg and Nissan, and McAllister four-body model. The excess molar volumes of (1,1,2,2-tetrabromoethane + 1-pentanol, or + 1-haxanol, or + 1-heptanol, or + 1-octanol) had a sigmoidal shape and the values varied from negative to positive with the increase in the molar fraction of 1,1,2,2-tetrabromoethane. The remaining binary mixture of (1,1,2,2-tetrabromoethane + 1-decanol) was positive over the entire composition range. The effects of the 1-alkanol chain length as well as the temperature on the excess molar volume have been studied. The results have been qualitatively used to explain the molecular interaction between the components of these mixtures

  3. The (water + acetonitrile) mixture revisited: A new approach for calculating partial molar volumes

    International Nuclear Information System (INIS)

    Carmen Grande, Maria del; Julia, Jorge Alvarez; Barrero, Carmen R.; Marschoff, Carlos M.; Bianchi, Hugo L.

    2006-01-01

    Density and viscosity of (water + acetonitrile) mixtures were measured over the whole composition range at the temperatures: (298.15, 303.15, 308.15, 313.15, and 318.15) K. A new mathematical approach was developed which allows the calculation of the derivatives of density with respect to composition avoiding the appearance of local discontinuities. Thus, reliable partial molar volumes and thermal expansion coefficients were obtained

  4. Excess Molar Volume of Binary Mixtures of Methylheptenone+Alkanols at 298.15 K

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    Excess molar volume(VE) data on binary liquid mixtures of methylheptenone (MHO) with methanol, ethanol, n-propanol or n-butanol have been determined from the density measurements at 298.15 K and atmospheric pressure. The values of VE in all the systems over the entire composition range are quantified by the Redlich-Kister equation. The effects of the chain length of alkanols on VE are discussed.

  5. Thermodynamic and optical studies of some ethylene glycol ethers in aqueous solutions at T = 298.15 K

    International Nuclear Information System (INIS)

    Dhondge, Sudhakar S.; Pandhurnekar, Chandrashekhar P.; Parwate, Dilip V.

    2009-01-01

    Experimental results of density (ρ), speed of sound (u), and refractive index (n D ) have been obtained for aqueous solutions of ethylene glycol monomethyl ether (EGMME), ethylene glycol monoethyl ether (EGMEE), diethylene glycol monomethyl ether (DEGMME), and diethylene glycol monoethyl ether (DEGMEE) over the entire concentration range at T = 298.15 K. From these measurements, the derived parameters, apparent molar volume of solute (φ V ), excess molar volume (V E ), isentropic compressibility of solution (β S ), apparent molar isentropic compressibility of solute (φ KS ), deviation in isentropic compressibility (Δβ S ), molar refraction [R] 1,2 and deviation in refractive index of solution (Δn D ) have been calculated. The Redlich-Kister equation has been fitted to the calculated values of V E , Δβ S and Δn D for the solution. The results obtained are interpreted in terms of hydrogen bonding and various interactions among solute and solvent molecules

  6. Physicochemical Properties of Amino Acids in Aqueous Caffeine Solution at 25, 30, 35 and 40 ℃

    Institute of Scientific and Technical Information of China (English)

    ALI A.; SABIR S.; SHAHJAHAN; HYDER S.

    2006-01-01

    Density, viscosity, and refractive index, for glycine, DL-alanine, L-serine and DL-valine have been determined in aqueous solution of 0.05 mol/kg caffeine as a function of amino acid (AA) concentration at 25, 30, 35, and 40 ℃.The density data have been used to compute apparent molar volume. The partial molar volume (limiting apparent molar volume) was obtained by applying the Masson's equation. The viscosity data have been analyzed by means of Jones-Dole equation. The values of Falkenhagen coefficient and Jones-Dole coefficient thus obtained are used to interpret the solute-solute and solute-solvent interactions, respectively. Hydration number was also computed. The transition-state theory was applied to obtain the activation parameters of viscous flow, I.e., free energy of activation per mole of solvent, and solute. The enthalpy and entropy of activation of viscous flow were computed for the system. Refractive index was used to calculate molar refractivity of the mixtures. The results have been interpreted in the lightof various interactions occurring between the components of the mixtures under applied experimental conditions.

  7. Apparent and standard molar volumes and heat capacities of aqueous Ni(ClO4)2 from 25 to 85oC

    International Nuclear Information System (INIS)

    Pan, P.; Campbell, A.B.

    1997-01-01

    Apparent molar heat capacities and volumes of aqueous Ni(ClO 4 ) 2 were measured from 25 to 85 o C over a concentration range of 0.02 to 0.8 mol-kg -1 using a Picker flow microcalorimeter and a Picker vibrating-tube densimeter. An extended Debye-Huckel equation was fitted to the experimental data to obtain expressions for the apparent molar properties as functions of ionic strength for Ni(ClO 4 ) 2 (aq). The standard-state partial molar properties for Ni(ClO 4 ) 2 (aq) in the temperature range 25 to 85 o C were obtained and can be expressed by empirical equations. The standard partial molar heat capacities and volumes for Ni 2+ (aq) from 25 to 86 o C were obtained by using the additivity rule and data for ClO - 4 (aq) in the literature. These values were extrapolated to 300 o C by employing the Helgeson-Kirkham-Flower (HKF) equations, amended to include a standard-state correction term. (author)

  8. Volumetric studies of some amino acids in binary aqueous solutions ...

    Indian Academy of Sciences (India)

    Unknown

    0 values of glycine, L-alanine, and L-valine in aqueous MgCl2⋅6H2O solutions at. 298⋅15 K in order to describe the temperature dependence behaviour of partial molar quantities. Group contributions to partial molar volumes have been determined for the amino acids. The trends of transfer volumes (∆Vφ. 0) have been ...

  9. Apparent molal volumes of HMT and TATD in aqueous solutions around the temperature of maximum density of water

    International Nuclear Information System (INIS)

    Clavijo Penagos, J.A.; Blanco, L.H.

    2012-01-01

    Highlights: ►V φ for HMT and TATD in aqueous solutions around the temperature of maximum density of water are reported. ► V φ is linear in m form m = 0.025 for all the aqueous solutions investigated. ► Variation of V ¯ 2 ∞ with T obeys a second grade polynomial trend. ► The solutes are classified as structure breakers according to Hepler’s criterion. - Abstract: Apparent molal volumes V φ have been determined from density measurements for several aqueous solutions of 1,3,5,7-tetraazatricyclo[3.3.1.1(3,7)]decane (HMT) and 1,3,6,8-tetraazatricyclo[4.4.1.1(3,8)]dodecane (TATD) at T = (275.15, 275.65, 276.15, 276.65, 277.15, 277.65 and 278.15) K as function of composition. The infinite dilution partial molar volumes of solutes in aqueous solution are evaluated through extrapolation. Interactions of the solutes with water are discussed in terms of the effect of the temperature on the volumetric properties and the structure of the solutes. The results are interpreted in terms of water structure-breaking or structure forming character of the solutes.

  10. The determination of molar volumes of uranous nitrate and nitric acid in systems of U(NO3)4-HNO3-H2O and U(NO3)4-HNO3-30% TBP kerosene

    International Nuclear Information System (INIS)

    Tao Chengying

    1986-01-01

    The data of molar volumes of uranous nitrate and nitric acid are necessary for the calculation of the changes in phase volume during the extraction in U(NO 3 ) 4 -HNO 3 /30%TBP-kerosene system. However, the data of the partial molar volume of U(NO 3 ) 4 are not available in literature. In the present work, the molar volumes of U(NO 3 ) 4 and HNO 3 are calculated by linear fitting of the experimental data. The result of the molar volume of HNO 3 is consistent with those in literature

  11. Determination of the Molar Volume of Hydrogen from the Metal-Acid Reaction: An Experimental Alternative.

    Science.gov (United States)

    de Berg, Kevin; Chapman, Ken

    1996-01-01

    Describes an alternative technique for determining the molar volume of hydrogen from the metal-acid reaction in which the metal sample is encased in a specially prepared cage and a pipette filler is used to fill an inverted burette with water. Eliminates some difficulties encountered with the conventional technique. (JRH)

  12. Thermodynamics of dilute aqueous solutions of imidazolium based ionic liquids

    International Nuclear Information System (INIS)

    Singh, Tejwant; Kumar, Arvind

    2011-01-01

    Research highlights: → The thermodynamic behaviour of aqueous imidazolium ILs has been investigated. → Volumetric and ultrasonic results indicated the hydrophobic hydration of ILs. → Viscometric studies revealed studied ionic liquids as water-structure makers. → Hydration number increased with increase in alkyl chain length of the cation. - Abstract: Experimental measurements of density ρ, speed of sound u, and viscosity η of aqueous solutions of various 1-alkyl-3-methylimidazolium based ionic liquid (IL) solutions have been performed in dilute concentration regime at 298.15 K to get insight into hydration behaviour of ILs. The investigated ILs are based on 1-alkyl-3-methylimidazolium cation, [C n mim] having [BF 4 ] - , [Cl] - , [C 1 OSO 3 ] - , and [C 8 OSO 3 ] - as anions where n = 4 or 8. Several thermodynamic parameters like apparent molar volume φ V , isentropic compressibility β s , and viscosity B-coefficients have been derived from experimental data. Limiting value of apparent molar volume has been discussed in terms of intrinsic molar volume (V int ) molar electrostriction volume (V elec ), molar disordered (V dis ), and cage volume (V cage ). Viscosity B-coefficients have been used to quantify the kosmotropic or chaotropic nature of ILs. Hydration number of ILs obtained using elctrostriction volume, isentropic compressibility, viscosity, and differential scanning calorimetry have been found to be comparative within the experimental error. The hydrophobic hydration has found to play an important role in hydration of ILs as compared to hydration due to hydrogen bonding and electrostriction. Limiting molar properties, hydration numbers, and B-coefficients have been discussed in terms of alkyl chain length of cation or nature of anion.

  13. Hydrogen bonding interactions between ethylene glycol and water: density, excess molar volume, and spectral study

    Institute of Scientific and Technical Information of China (English)

    ZHANG JianBin; ZHANG PengYan; MA Kai; HAN Fang; CHEN GuoHua; WEI XiongHui

    2008-01-01

    Studies of the density and the excess molar volume of ethylene glycol (EG)-water mixtures were carried out to illustrate the hydrogen bonding interactions of EG with water at different temperatures, The re-sults suggest that a likely complex of 3 ethylene glycol molecules bonding with 4 water molecules in an ethylene glycol-water mixture (EGW) is formed at the maximal excess molar volume, which displays stronger absorption capabilities for SO2 when the concentration of SO2 reaches 400×106 (volume ratio) in the gas phase. Meanwhile, FTIR and UV spectra of EGWs were recorded at various EG concentra-tions to display the hydrogen bonding interactions of EG with water. The FTIR spectra show that the stretching vibrational band of hydroxyl in the EGWs shifts to a lower frequency and the bending vibra-tional band of water shifts to a higher frequency with increasing the EG concentration, respectively. Furthermore, the UV spectra show that the electron transferring band of the hydroxyl oxygen in EG shows red shift with increasing the EG concentration. The frequency shifts in FTIR spectra and the shifts of absorption bands in UV absorption spectra of EGWs are interpreted as the strong hydrogen bonding interactions of the hydrogen atoms in water with the hydroxyl oxygen atoms of EG.

  14. Hydrogen bonding interactions between ethylene glycol and water:density,excess molar volume,and spectral study

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    Studies of the density and the excess molar volume of ethylene glycol (EG)-water mixtures were carried out to illustrate the hydrogen bonding interactions of EG with water at different temperatures. The re-sults suggest that a likely complex of 3 ethylene glycol molecules bonding with 4 water molecules in an ethylene glycol-water mixture (EGW) is formed at the maximal excess molar volume,which displays stronger absorption capabilities for SO2 when the concentration of SO2 reaches 400×10?6 (volume ratio) in the gas phase. Meanwhile,FTIR and UV spectra of EGWs were recorded at various EG concentra-tions to display the hydrogen bonding interactions of EG with water. The FTIR spectra show that the stretching vibrational band of hydroxyl in the EGWs shifts to a lower frequency and the bending vibra-tional band of water shifts to a higher frequency with increasing the EG concentration,respectively. Furthermore,the UV spectra show that the electron transferring band of the hydroxyl oxygen in EG shows red shift with increasing the EG concentration. The frequency shifts in FTIR spectra and the shifts of absorption bands in UV absorption spectra of EGWs are interpreted as the strong hydrogen bonding interactions of the hydrogen atoms in water with the hydroxyl oxygen atoms of EG.

  15. Volumetric properties of itaconic acid aqueous solutions

    International Nuclear Information System (INIS)

    Nisenbaum, Alexander; Apelblat, Alexander; Manzurola, Emanuel

    2012-01-01

    Highlights: ► Densities of itaconic acid aqueous solutions in a wide range of concentrations and temperatures. ► The apparent molar volumes and the cubic expansion coefficients. ► The derivatives of isobaric heat capacities with respect to pressure. ► Changes in the structure of water when itaconic acid is dissolved. - Abstract: Densities of itaconic acid aqueous solutions were measured at 5 K intervals from T = (278.15 to 343.15) K. From the determined densities, the apparent molar volumes, the cubic expansion coefficients and the second derivatives of volume with respect to temperature which are interrelated with the derivatives of isobaric heat capacities with respect to pressure were evaluated. These derivatives were qualitatively correlated with the changes in the structure of water when itaconic acid is dissolved in it.

  16. Volumetric behaviour of amino acids and their group contributions in aqueous lactose solutions at different temperatures

    International Nuclear Information System (INIS)

    Pal, Amalendu; Chauhan, Nalin

    2011-01-01

    Densities, ρ, for glycine, L-alanine, L-valine, and L-leucine [(0.05 to 0.30) m] in aqueous lactose solutions ranging from pure water to 6 mass% lactose were determined at T = (293.15, 298.15, 303.15, and 308.15) K. The density was used to compute apparent molar volume, V φ , partial molar volume at infinite dilution, V φ o , and experimental slope, S V were obtained and interpreted in terms of solute-solvent and solute-solute interactions. These data were used to calculate the (∂V φ 0 /∂T) P values. The partial molar volume of transfer, ΔV φ 0 from water to aqueous lactose solutions at infinite dilution has also been calculated. In addition to this, the linear correlation of V φ 0 with number of carbon atoms in the alkyl chain of amino acids was utilized to determine the respective contributions of NH 3 + COO - , and CH 2 groups to V φ 0 .

  17. Volumetric property of glycine, L-serine, L-alanine and L-proline in aqueous solutions of 1-phenylpiperazinium tetrafluoroborate

    International Nuclear Information System (INIS)

    Xie, Hujun; Zhao, Lijiang; Liu, Chengcheng; Cao, Yifan; Lu, Xiaoxing; Lei, Qunfang; Fang, Wenjun

    2016-01-01

    Highlights: • Volumetric property of four amino acids in aqueous solutions of [Phpi][BF_4] were measured. • The standard partial molar volume, transparent partial molar volume and hydration number were calculated. • [Phpi][BF_4] interacts strongly with four kinds of amino acids. • Hydrophilic–hydrophobic and hydrophobic–hydrophobic interactions play the dominant roles in ternary systems. • The ternary systems are generated via multiple hydrogen bond interactions. - Abstract: The densities of aqueous solutions of glycine, L-serine, L-alanine, L-proline with the ionic liquid (IL), 1-phenylpiperazinium tetrafluoroborate ([Phpi][BF_4]) at the IL concentrations of (0.025, 0.055 and 0.100) mol·kg"−"1 have been measured at the temperatures of (298.15, 303.15 and 308.15) K. On the basis of the experimental results, the apparent molar volume (V_Φ), standard partial molar volume (V_Φ"0), transfer partial molar volume (Δ_t_rV_Φ"0) and hydration number (n_H) have been calculated. The hydrophilic–hydrophilic, hydrophobic–hydrophilic and hydrophobic–hydrophobic interactions are involved in the studied systems of {[Phpi][BF_4] + amino acids + H_2O. These volumetric parameters can help to understand the mixing effects and other complex biological processes between amino acids and ionic liquid aqueous solution.

  18. Measurement and Correlation on Viscosity and Apparent Molar Volume of Ternary System for L-ascorbic Acid in Aqueous D-Glucose and Sucrose Solutions%L-抗坏血酸在葡萄糖和蔗糖溶液中的黏度及其热力学性质的研究

    Institute of Scientific and Technical Information of China (English)

    赵长伟; 马沛生

    2003-01-01

    Viscosities and densities at several temperatures from 293.15 K to 313.15 K are reported for L-ascorbic acid in aqueous glucose and sucrose solutions at different concentrations. The parameters of density, viscosity coefficient B and partial molar volume are calculated by regression. The experimental results show that densities and viscosities decrease as temperature increases at the same solute and solvent (glucose and sucrose aqueous solution) concentrations, and increase with concentration of glucose and sucrose at the same solute concentration and temperature. B increases with concentration of glucose and sucrose and temperature. L-ascorbic acid is structure-breaker or structure-making for the glucose and sucrose aqueous solutions. Furthermore, the solute-solvent interactions in ternary systems of water-glucose-electrolyte and water-sucrose-electrolyte are discussed.

  19. Densities, excess molar volumes, speeds of sound and isothermal compressibilities for {2-(2-hexyloxyethoxy)ethanol + n-alkanol} systems at temperatures between (288.15 and 308.15) K

    International Nuclear Information System (INIS)

    Pal, Amalendu; Gaba, Rekha

    2008-01-01

    The densities, ρ and the speeds of sound, u, for {2-(2-hexyloxyethoxy)ethanol (C 6 E 2 ) + methanol, +1-propanol, +1-pentanol, and +1-heptanol} have been measured as a function of composition using an Anton-Paar DSA 5000 densimeter at temperatures (288.15, 293.15, 298.15, 303.15, and 308.15) K and atmospheric pressure over the whole concentration range. The ρ and u values were used to calculate excess molar volumes, V E , and excess molar isentropic compressibility, K S,m E , respectively. Also, thermal expansivity, α, partial molar volume, V-bar i , and partial molar volume of the components at infinite dilution, V-bar i 0 , have been calculated. The variation of these properties with composition and temperature of the mixtures are discussed in terms of molecular interactions

  20. Characterization of Mixtures. Part 2: QSPR Models for Prediction of Excess Molar Volume and Liquid Density Using Neural Networks.

    Science.gov (United States)

    Ajmani, Subhash; Rogers, Stephen C; Barley, Mark H; Burgess, Andrew N; Livingstone, David J

    2010-09-17

    In our earlier work, we have demonstrated that it is possible to characterize binary mixtures using single component descriptors by applying various mixing rules. We also showed that these methods were successful in building predictive QSPR models to study various mixture properties of interest. Here in, we developed a QSPR model of an excess thermodynamic property of binary mixtures i.e. excess molar volume (V(E) ). In the present study, we use a set of mixture descriptors which we earlier designed to specifically account for intermolecular interactions between the components of a mixture and applied successfully to the prediction of infinite-dilution activity coefficients using neural networks (part 1 of this series). We obtain a significant QSPR model for the prediction of excess molar volume (V(E) ) using consensus neural networks and five mixture descriptors. We find that hydrogen bond and thermodynamic descriptors are the most important in determining excess molar volume (V(E) ), which is in line with the theory of intermolecular forces governing excess mixture properties. The results also suggest that the mixture descriptors utilized herein may be sufficient to model a wide variety of properties of binary and possibly even more complex mixtures. Copyright © 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Application of some geometrical and empirical models to excess molar volume for the multi-component mixtures at T = 298.15 K

    International Nuclear Information System (INIS)

    Iloukhani, H.; Khanlarzadeh, K.

    2012-01-01

    Highlights: ► Excess molar volume of quartenary mixtures of 1-chlorobutane, 2-chlorobutane, butylamine, and butylacetate was determined. ► The experimental data were correlated by some empirical and semi empirical models. ► A comparison with PFP theory has been successfully applied from binary data. - Abstract: Densities of the quaternary mixture consisting of {1-chlorobutane (1) + 2-chlorobutane (2) + butylamine (3) + butylacetate (4)} and related ternary mixtures of {1-chlorobutane (1) + 2-chlorobutane (2) + butylamine (3)}, {1-chlorobutane (1) + 2-chlorobutane (2) + butylacetate (4)}, {2-chlorobutane (2) + butylamine (3) + butylacetate (4)}, and binary systems of {1-chlorobutane (1) + 2-chlorobutane (2)}, {2-chlorobutane (2) + butylamine (3)}, were measured over the whole range of composition at T = 298.15 K and ambient pressure. Excess molar volumes, V m E , for the mixtures were derived and correlated as a function of mole fraction by using the Redlich–Kister and the Cibulka equations for binary and ternary mixtures, respectively. From the experimental data, partial molar volumes, V m,i and excess partial molar volumes, V m,i E were also calculated for binary systems. The experimental results of the constituted binary mixtures have been used to test the applicability of the Prigogine–Flory–Paterson (PFP) theory. A number of geometrical and empirical equations were also used to verify their ability to predict ternary and quaternary properties from their lower order mixtures. The experimental data were used to evaluate the nature and type of intermolecular interactions in multi-component mixtures.

  2. Volumetric properties of ascorbic acid (vitamin C) and thiamine hydrochloride (vitamin B1) in dilute HCl and in aqueous NaCl solutions at (283.15, 293.15, 298.15, 303.15, 308.15, and 313.15) K

    International Nuclear Information System (INIS)

    Ayranci, Guler; Sahin, Melike; Ayranci, Erol

    2007-01-01

    Apparent molar volumes and apparent molar isentropic compressibilities of ascorbic acid (vitamin C) and thiamine hydrochloride (vitamin B 1 ) were determined from accurately measured density and sound velocity data in water and in aqueous NaCl solutions at (283.15, 293.15, 298.15, 303.15, 308.15, and 313.15) K. These volume and compressibility data were extrapolated to zero concentration using suitable empirical or theoretical equations to determine the corresponding infinite dilution values. Apparent molar expansibilities at infinite dilution were determined from slopes of apparent molar volume vs. temperature plots. Ionization of both ascorbic acid and thiamine hydrochloride were suppressed using sufficiently acidic solutions. Apparent molar volumes at infinite dilution for ascorbic acid and thiamine hydrochloride were found to increase with temperature in acidic solutions and in the presence of co-solute, NaCl. Apparent molar expansibility at infinite dilution were found to be constant over the temperature range studied and were all positive, indicating the hydrophilic character of the two vitamins studied in water and in the presence of co-solute, NaCl. Apparent molar isentropic compressibilities of ascorbic acid at infinite dilution were positive in water and in the presence of co-solute, NaCl, at low molalities. Those of thiamine hydrochloride at infinitive dilution were all negative, consistent with its ionic nature. Transfer apparent molar volumes of vitamins at infinite dilution from water solutions to NaCl solutions at various temperatures were determined. The results were interpreted in terms of complex vitamin-water-co-solute (NaCl) interactions

  3. Experimental study of the density and derived volumetric (excess, apparent, and partial molar volumes) properties of aqueous 1-propanol mixtures at temperatures from 298 K to 582 K and pressures up to 40 MPa

    International Nuclear Information System (INIS)

    Abdulagatov, I.M.; Azizov, N.D.

    2014-01-01

    Highlights: • Density of (water + 1-propanol) mixtures. • Excess molar volumes of (water + 1-propanol) mixtures. • Apparent molar volumes of (water + 1-propanol) mixtures. -- Abstract: Densities of (water + 1-propanol) mixtures have been measured over the temperature range from 298 K to 582 K and at pressures up to 40 MPa using the constant-volume piezometer immersed in a precision liquid thermostat. The measurements were made for six compositions of (0.869, 2.465, 2.531, 7.407, 14.377, and 56.348) mol · kg −1 of 1-propanol. The expanded uncertainty of the density, pressure, temperature, and concentration measurements at the 95% confidence level with a coverage factor of k = 2 is estimated to be 0.06%, 0.05%, 15 mK, and 0.015%, respectively. The derived volumetric properties such as excess (V m E ), apparent (V Φ ), and partial (V ¯ 2 ∞ ) molar volumes were calculated using the measured values of density for the mixture and for pure components (water and 1-propanol). The concentration dependences of the apparent molar volumes were extrapolated to zero concentration to yield the partial molar volumes of 1-propanol at infinite dilution (V ¯ 2 ∞ ). The temperature, pressure, and concentration dependence of density and derived properties of the mixture were studied. All experimental and derived properties (excess, apparent, and partial molar volumes) were compared with the reported data by other authors. The small and negative values of excess molar volume for the mixtures were found at all experimental temperatures, pressures, and over the entire concentration range. The excess molar volume minimum is found at concentration about 0.4 mole fraction of 1-propanol. The concentration minimum of the derived apparent molar volumes V Φ near the 2.5 mol · kg −1 (dilute mixture) was observed

  4. Thermodynamic properties of solutions of sodium di-hydrogen phosphate in (1-propanol + water) mixed-solvent media over the temperature range of (283.15 to 303.15) K

    International Nuclear Information System (INIS)

    Sadeghi, Rahmat; Parhizkar, Hana

    2008-01-01

    The apparent molar volume and apparent molar isentropic compressibility of solutions of sodium di-hydrogen phosphate (NaH 2 PO 4 ) in (1-propanol + water) mixed-solvent media with alcohol mass fractions of 0.00, 0.05, 0.10, and 0.15 are reported over the range of temperature (283.15 to 303.15) K at 5 K intervals. The results were fitted to a Redlich-Mayer type equation from which the apparent molar volume and apparent molar isentropic compressibility of the solutions at the infinite dilution were also calculated at the working temperature. The results show a positive transfer volume of NaH 2 PO 4 from an aqueous solution to an aqueous 1-propanol solution. The apparent molar isentropic compressibility of NaH 2 PO 4 in aqueous 1-propanol solutions is negative and it increases with increasing the concentration of NaH 2 PO 4 , 1-propanol, and temperature. Electrical conductivity and refractive index of the solutions are also studied at T = 298.15 K. The effects of the electrolyte concentration and relative permittivity of the medium on the molar conductivity were also investigated

  5. Measurement and Correlation of the Ionic Conductivity of Ionic Liquid-Molecular Solvent Solutions

    Institute of Scientific and Technical Information of China (English)

    LI,Wen-Jing; HAN,Bu-Xing; TAO,Ran-Ting; ZHANG,Zhao-Fu; ZHANG,Jian-Ling

    2007-01-01

    The ionic conductivity of the solutions formed from 1-n-butyl-3-methylimidazolium tetrafluoroborate ([Bmim][BF4]) or 1-n-butyl-3-methylimidazolium hexafluorophosphate ([Bmim][PF6]) and different molecular solvents (MSs) were measured at 298.15 K. The molar conductivity of the ionic liquids (ILs) increased dramatically with increasing concentration of the MSs. It was found that the molar conductivity of the IL in the solutions studied in this work could be well correlated by the molar conductivity of the neat ILs and the dielectric constant and molar volume of the MSs.

  6. The influence of premature loss of temporary upper molars on permanent molars.

    Science.gov (United States)

    Cernei, E R; Maxim, Dana Cristiana; Zetu, Irina Nicoleta

    2015-01-01

    Premature loss of primary molars due to dental caries and their complications has been associated with space loss and eruptive difficulties, especially when the loss occurs early. The aim of our study was to determine the impact of premature loss of temporary upper molars upon the longitudinal axis of the first and second upper permanent molar. The study group included 64 patients 6-9 years old with premature loss of primary molars and a control group of 48 patients with intact temporary teeth. It was evaluated the angle between longitudinal axis of first and second upper permanent molars and occlusal plane. The sofware used is Easy Dent 4 Viewer®.The data were analyzed by using the Statistical Package for the Social Sciences (version 20.0; SPSS, Chicago, III). It was observed that premature loss of upper second deciduous molars modifies greater the vertical axis of the permanent molars than the premature loss of first upper primary molar. First upper primary molar loss cause an acceleration eruption of first premolar, which will produce a distal inclintion of the both permanent molars. The use of space maintainers after premature loss of the second upper temporary molar is a last solution in preventing tridimensional lesions in the dental arch and occlusion.

  7. Thermodynamics of dilute aqueous solutions of imidazolium based ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Tejwant [Salt and Marine Chemicals Division, Central Salt and Marine Chemicals Research Institute, Council of Scientific and Industrial Research (CSIR), G.B. Marg, Bhavnagar 364002 (India); Kumar, Arvind, E-mail: arvind@csmcri.or [Salt and Marine Chemicals Division, Central Salt and Marine Chemicals Research Institute, Council of Scientific and Industrial Research (CSIR), G.B. Marg, Bhavnagar 364002 (India)

    2011-06-15

    Research highlights: The thermodynamic behaviour of aqueous imidazolium ILs has been investigated. Volumetric and ultrasonic results indicated the hydrophobic hydration of ILs. Viscometric studies revealed studied ionic liquids as water-structure makers. Hydration number increased with increase in alkyl chain length of the cation. - Abstract: Experimental measurements of density {rho}, speed of sound u, and viscosity {eta} of aqueous solutions of various 1-alkyl-3-methylimidazolium based ionic liquid (IL) solutions have been performed in dilute concentration regime at 298.15 K to get insight into hydration behaviour of ILs. The investigated ILs are based on 1-alkyl-3-methylimidazolium cation, [C{sub n}mim] having [BF{sub 4}]{sup -}, [Cl]{sup -}, [C{sub 1}OSO{sub 3}]{sup -}, and [C{sub 8}OSO{sub 3}]{sup -} as anions where n = 4 or 8. Several thermodynamic parameters like apparent molar volume {phi}{sub V}, isentropic compressibility {beta}{sub s}, and viscosity B-coefficients have been derived from experimental data. Limiting value of apparent molar volume has been discussed in terms of intrinsic molar volume (V{sub int}) molar electrostriction volume (V{sub elec}), molar disordered (V{sub dis}), and cage volume (V{sub cage}). Viscosity B-coefficients have been used to quantify the kosmotropic or chaotropic nature of ILs. Hydration number of ILs obtained using elctrostriction volume, isentropic compressibility, viscosity, and differential scanning calorimetry have been found to be comparative within the experimental error. The hydrophobic hydration has found to play an important role in hydration of ILs as compared to hydration due to hydrogen bonding and electrostriction. Limiting molar properties, hydration numbers, and B-coefficients have been discussed in terms of alkyl chain length of cation or nature of anion.

  8. Effect of Hydroxylamine Sulfate on Volumetric Behavior of Glycine, L-Alanine, and L-Arginine in Aqueous Solution

    Directory of Open Access Journals (Sweden)

    Jie Chen

    2013-01-01

    Full Text Available The apparent molar volumes of glycine, L-alanine, and L-arginine in aqueous hydroxylamine sulfate solutions have been determined at T=298.15 K and atmospheric pressure. The standard partial molar volumes, V20, corresponding partial molar volumes of transfer, ΔtrV20, and hydration numbers, NH, have been calculated for these α-amino acids from the experimental data. The ΔtrV20 values are positive for glycine, L-alanine, and L-arginine and are all increased with the increase in the concentration of hydroxylamine ions. These parameters obtained from the volumetric data are interpreted in terms of various mixing effects between amino acids and hydroxylamine sulfate in aqueous solutions.

  9. New wine in old flasks: a new solution of the Clapeyron equation

    Energy Technology Data Exchange (ETDEWEB)

    Shilo, Doron [Department of Mechanical Engineering, Technion, Haifa 32000 (Israel); Ghez, Richard [Department of Materials Engineering, Technion, Haifa 32000 (Israel)

    2008-01-15

    The coexisting equilibrium states between single-component gas and condensed phases (liquid or solid) are often calculated by assuming that the condensed phase's molar volume is negligible in comparison with the gas's. Here, we present an analytic solution of Clapeyron's equation when this assumption is relaxed. It differs substantially from Clausius's solution because, mathematically, it is not always monotonic. Our solution depends essentially on the dimensionless ratio pv/L, where p is the gas pressure, v is the condensed phase's molar volume and L is the molar latent heat of the phase transition. Similar to Clausius's, our calculation is predicated on the assumption of weakly varying L and v, and of ideal gas behaviour. These assumptions are discussed in the end of this paper.

  10. Studies on the interactions of diglycine and triglycine with polyethylene glycol 400 in aqueous solutions by density and ultrasound speed measurements

    International Nuclear Information System (INIS)

    Sahin, Melike; Ayranci, Erol

    2013-01-01

    Highlights: ► Di- and tri-glycine in aqueous PEG400 solutions were investigated thermodynamically. ► Density and ultrasound speed of glycine oligomer-PEG400-water systems were measured. ► Apparent molar volumes and isentropic compressions were calculated. ► Apparent molar isobaric expansions were derived. ► Results were interpreted in terms of water–glycine oligomer-PEG400 interactions. -- Abstract: Density and ultrasound speed were measured accurately for diglycine + water, triglycine + water, diglycine + water-polyethylene glycol 400 (PEG400) and triglycine + water-PEG400 solutions at T = (293.15, 298.15, 303.15 and 308.15) K. The results were used in evaluating thermodynamic properties as apparent molar volumes (V Ø ) and apparent molar isentropic compressions (K SΦ ) of diglycine and triglycine in water and in PEG400 solutions. Infinite dilution values of these parameters, V o Ø , and K o SΦ , were obtained from their plots as a function of molality by extrapolation and have been utilized in obtaining transfer volumes and transfer compressions at infinite dilution. All transfer volumes and transfer compressions were found to increase with increasing molality of PEG400. Apparent molar isobaric expansions were derived from the temperature dependence of V Ø values at infinite dilution and at finite concentrations. All the results were interpreted in terms of solute (diglycine or triglycine) and co-solute (PEG400) and solvent (H 2 O) interactions

  11. Volumetric properties of l-alanine, and l-valine in aqueous sucrose solutions at T=(288.15 and 308.15) K

    International Nuclear Information System (INIS)

    Pal, Amalendu; Kumar, Suresh

    2005-01-01

    Densities of l-alanine, and l-valine have been measured at T=(288.15 and 308.15) K in aqueous sucrose solutions ranging from pure water to 25 mass% of sucrose. From these densities, apparent molar volumes (V φ ) and limiting partial molar volumes (V φ 0 ) of each amino acid in various aqueous sucrose solutions have been evaluated. These data were combined with the earlier reported V φ 0 values of l-alanine, and l-valine in aqueous sucrose solutions at T=298.15 K to calculate the (-bar V φ 0 /-bar T) P values. The partial molar properties of transfer (ΔV φ 0 ) from water to aqueous sucrose solutions at infinite dilution has been calculated. Transfer parameters have been interpreted in terms of solute-cosolute interactions on the basis of a cosphere overlap model. Pair and triplet interaction coefficients have also been calculated from transfer volume data

  12. Estudio de volumen molar y refracción molar de miscelas de triglicéridos (triacetina, tributirina o tricaprilina) y alcoholes (etanol, 1-butanol o 1-hexanol)

    OpenAIRE

    Rodríguez Rodríguez, M.; Galán Vallejo, M.; Muñoz Cueto, María J.

    1992-01-01

    Values of molar refraction for every studied mixtures show linear plots versus molar fractions of triglyceride. Values of molar volume show this behaviour, but only for tributyrin-butanol or tricaprylin-butanol miscellas. However, in tributyrin-ethanol mixtures, volume contractions have been found, whereas triacetin-butanol and tributyrin-hexanol show volume expansions. These facts are related to the mode of being structured of the alcohol and triglyceride molecules in mixtures. A linea...

  13. Physicochemical properties of binary solutions of propylene carbonate-acetonitrile in the range of 253.15-313.15 K

    Science.gov (United States)

    Tyunina, E. Yu.; Chekunova, M. D.

    2017-05-01

    The density, dynamic viscosity, and dielectric constant of propylene carbonate solutions with acetonitrile are measured over the composition of a mixed solvent at temperatures of 253.15, 273.15, 293.15, and 313.15 K. The molar volume, molar viscosity, and molar capacity of a mixture of propylene carbonate-acetonitrile and an excess amount of it are calculated. The effect the temperature and composition of the mixture have on the excess molar properties is discussed. A linear correlation is observed between the values of the molar fluidity, capacity, polarization, and molar volume of the studied system.

  14. Volumetric behaviour of amino acids and their group contributions in aqueous lactose solutions at different temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Pal, Amalendu, E-mail: palchem@sify.co [Department of Chemistry, Kurukshetra University, Kurukshetra 136 119 (India); Chauhan, Nalin [Department of Chemistry, Kurukshetra University, Kurukshetra 136 119 (India)

    2011-02-15

    Densities, {rho}, for glycine, L-alanine, L-valine, and L-leucine [(0.05 to 0.30) m] in aqueous lactose solutions ranging from pure water to 6 mass% lactose were determined at T = (293.15, 298.15, 303.15, and 308.15) K. The density was used to compute apparent molar volume, V{sub {phi}}, partial molar volume at infinite dilution, V{sub {phi}}{sup o}, and experimental slope, S{sub V} were obtained and interpreted in terms of solute-solvent and solute-solute interactions. These data were used to calculate the ({partial_derivative}V{sub {phi}}{sup 0}/{partial_derivative}T){sub P} values. The partial molar volume of transfer, {Delta}V{sub {phi}}{sup 0} from water to aqueous lactose solutions at infinite dilution has also been calculated. In addition to this, the linear correlation of V{sub {phi}}{sup 0} with number of carbon atoms in the alkyl chain of amino acids was utilized to determine the respective contributions of NH{sub 3}{sup +}COO{sup -}, and CH{sub 2} groups to V{sub {phi}}{sup 0}.

  15. Volumetric and calorimetric properties of aqueous ionene solutions.

    Science.gov (United States)

    Lukšič, Miha; Hribar-Lee, Barbara

    2017-02-01

    The volumetric (partial and apparent molar volumes) and calorimetric properties (apparent heat capacities) of aqueous cationic polyelectrolyte solutions - ionenes - were studied using the oscillating tube densitometer and differential scanning calorimeter. The polyion's charge density and the counterion properties were considered as variables. The special attention was put to evaluate the contribution of electrostatic and hydrophobic effects to the properties studied. The contribution of the CH 2 group of the polyion's backbone to molar volumes and heat capacities was estimated. Synergistic effect between polyion and counterions was found.

  16. Partial Molar Volumes of Air-Component Gases in Several Liquid n-Alkanes and 1-Alkanols at 313.15 K

    Czech Academy of Sciences Publication Activity Database

    Izák, Pavel; Cibulka, I.; Heintz, A.

    1995-01-01

    Roč. 109, č. 2 (1995), s. 227-234 ISSN 0378-3812 Keywords : data density * partial molar volume * gas -liquid mixture Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 1.024, year: 1995

  17. Estudio de volumen molar y refracción molar de miscelas de triglicéridos (triacetina, tributirina o tricaprilina y alcoholes (etanol, 1-butanol o 1-hexanol

    Directory of Open Access Journals (Sweden)

    Rodríguez Rodríguez, M.

    1992-12-01

    Full Text Available Values of molar refraction for every studied mixtures show linear plots versus molar fractions of triglyceride. Values of molar volume show this behaviour, but only for tributyrin-butanol or tricaprylin-butanol miscellas. However, in tributyrin-ethanol mixtures, volume contractions have been found, whereas triacetin-butanol and tributyrin-hexanol show volume expansions. These facts are related to the mode of being structured of the alcohol and triglyceride molecules in mixtures. A linear relationship between molar volume and temperature have been found, and also a linear dependence between the coefficient of thermal expansion at constant pressure and the molar fraction of triglyceride.

    Los valores de la refracción molar en todas las miscelas estudiadas presentan variaciones lineales frente a la fracción molar de triglicérido. la misma variación que presentan los valores del volumen molar de las miscelas tributirina y tricaprilina en butanol. Sin embargo, en las miscelas de tributirina-etanol se encuentran contracciones de volumen mientras que en las de triacetina-butanol y tributirina-hexanol expansiones, atribuidas en ambos casos a la forma de estructurarse las moléculas de alcohol y triglicérido en las miscelas. Por otra parte, se encuentra una variación lineal entre el volumen molar de las miscelas y la temperatura, y se establece una relación lineal entre el coeficiente de dilatación térmico molar a presión constante y la fracción molar de triglicérido en los cinco sistemas estudiados.

  18. What is the fundamental ion-specific series for anions and cations? Ion specificity in standard partial molar volumes of electrolytes and electrostriction in water and non-aqueous solvents.

    Science.gov (United States)

    Mazzini, Virginia; Craig, Vincent S J

    2017-10-01

    The importance of electrolyte solutions cannot be overstated. Beyond the ionic strength of electrolyte solutions the specific nature of the ions present is vital in controlling a host of properties. Therefore ion specificity is fundamentally important in physical chemistry, engineering and biology. The observation that the strengths of the effect of ions often follows well established series suggests that a single predictive and quantitative description of specific-ion effects covering a wide range of systems is possible. Such a theory would revolutionise applications of physical chemistry from polymer precipitation to drug design. Current approaches to understanding specific-ion effects involve consideration of the ions themselves, the solvent and relevant interfaces and the interactions between them. Here we investigate the specific-ion effects trends of standard partial molar volumes and electrostrictive volumes of electrolytes in water and eleven non-aqueous solvents. We choose these measures as they relate to bulk properties at infinite dilution, therefore they are the simplest electrolyte systems. This is done to test the hypothesis that the ions alone exhibit a specific-ion effect series that is independent of the solvent and unrelated to surface properties. The specific-ion effects trends of standard partial molar volumes and normalised electrostrictive volumes examined in this work show a fundamental ion-specific series that is reproduced across the solvents, which is the Hofmeister series for anions and the reverse lyotropic series for cations, supporting the hypothesis. This outcome is important in demonstrating that ion specificity is observed at infinite dilution and demonstrates that the complexity observed in the manifestation of specific-ion effects in a very wide range of systems is due to perturbations of solvent, surfaces and concentration on the underlying fundamental series. This knowledge will guide a general understanding of specific

  19. Investigation on molecular interaction of amino acids in aqueous disodium hydrogen phosphate solutions with reference to volumetric and compressibility measurements

    International Nuclear Information System (INIS)

    Kumar, Harsh; Singla, Meenu; Jindal, Rajeev

    2014-01-01

    Highlights: • Densities and speeds of sound of amino acids in aqueous disodium hydrogen phosphate. • Partial molar volumes and compressibility of transfer. • Positive values of transfer volume indicates interactions between ions of amino acids and TSC. • Ion–hydrophilic and hydrophilic–hydrophilic interactions are present. • Pair-wise interactions are dominant in the mixtures. -- Abstract: The interactions of amino acids glycine (Gly), L-alanine (Ala), and L-valine (Val) with disodium hydrogen phosphate (DSHP) as a function of temperature have been investigated by combination of volumetric and acoustic measurements. Densities (ρ) and speeds of sound (u) of amino acids in aqueous solutions of disodium hydrogen phosphate have been measured at T = (288.15, 293.15, 298.15, 303.15 and 308.15) K and atmospheric pressure. The apparent molar volume (V ϕ ), the partial molar volume (V ϕ 0 ) and standard partial molar volumes of transfer (ΔV ϕ 0 ) for amino acids from water to aqueous disodium hydrogen phosphate solutions have been calculated from density data. Partial molar adiabatic compressibility (κ ϕ,s ) and partial molar adiabatic compressibility of transfer (Δκ ϕ,S 0 ) have been calculated from speed of sound data. The pair (V AB , κ AB ) and triplet (V ABB , κ ABB ) interaction coefficient have been calculated from both the properties. The results have been explained based on competing patterns of interactions of co-solvents and the solute

  20. Effect of hydrophilic additives on volumetric and viscosity properties of amino acids in aqueous solutions at T = (283.15 to 333.15) K

    International Nuclear Information System (INIS)

    Sastry, Nandhibatla V.; Valand, Pinakin H.; Macwan, Pradip M.

    2012-01-01

    Highlights: ► Densities and viscosities of amino acids in aqueous additive solutions at different temperatures. ► Side chain partial molar volumes, V ¯ 2,tr ∘ and transfer volumes ΔV tr ∘ were calculated. ► Temperature effect on volumetric functions and B-coefficients were analyzed. ► Hydrophobic side chains facilitate the solute–solute interactions and hydrophobic hydration. - Abstract: Apparent molar volumes and partial molar volumes at infinite dilution, V ¯ 2 ∘ for amino acids (glycine, L-valine, L-leucine, L-phenylalanine, and L-aspargine) aqueous solutions in sucrose (0.05 to 0.2 (w/w)), urea (0.05), 2,3-butane diol (0.05) and 2-butoxyethanol (0.05) as additives have been calculated from the experimental densities at T = (283.15 to 233.15) K. Limiting partial molar expansibilities, E 2 ∘ , side chain partial molar volumes, V ¯ 2,tr ∘ and transfer volumes (from water to aqueous additive environment), ΔV tr ∘ for both the amino acids and their side chains have also been calculated. Relative viscosities for same systems were also calculated over the same temperature range and were analyzed in terms of Jones–Dole equation to calculate B-coefficients. The analysis of volumetric functions and B-coefficients suggests that the solute–co-solute interactions are more favored at elevated temperatures and in presence of high concentration of sucrose. Otherwise the hydrophobic side chains facilitate the solute–solute interactions and also time induced hydrophobic hydration in the bulk water.

  1. Volumetric, acoustic and viscometric behaviour of dipotassium hydrogen phosphate and disodium hydrogen phosphate in aqueous solution of N-acetyl glycine at different temperatures

    International Nuclear Information System (INIS)

    Kumar, Harsh; Singla, Meenu; Mittal, Heena

    2016-01-01

    Highlights: • Densities, speeds of sound, viscosities of phosphate salts in aqueous N-acetyl glycine. • Large values of partial molar volume for dipotassium hydrogen phosphate. • Partial molar volume of transfer are positive for phosphate salts. • Positive B-coefficient values indicate ion–solvent interactions. - Abstract: Densities, speeds of sound and viscosities of dipotassium hydrogen phosphate (DPHP) and disodium hydrogen phosphate (DSHP) in aqueous solutions of N-acetyl glycine (AcGly) are reported at different temperatures. Densities and speeds of sound have been used to calculate apparent molar volume, apparent molar isentropic compression, partial molar volume, partial molar isentropic compression, partial molar volume of transfer, partial molar isentropic compression of transfer and partial molar expansivity. Pair and triplet interaction coefficients have also been calculated. Experimental viscosities have been used to determine B-coefficients. Further pair and triplet interaction coefficients have also been calculated. The results are discussed in terms of solute–solvent interactions.

  2. Physicochemical Behavior of Some Amino Acids/Glycylglycine in Aqueous D-Galactose Solutions at Different Temperatures

    Science.gov (United States)

    Ali, Anwar; Patel, Rajan; Shahjahan; Ansari, Nizamul Haque

    2010-03-01

    The apparent molar volumes {(overline{V_2})} for glycine (Gly), l-alanine (Ala), phenylalanine (Phe), and glycylglycine (Gly-Gly) in 0.10 m aqueous d-galactose solutions have been determined from density measurements at (298.15, 303.15, 308.15, and 313.15) K. The data for {(overline{V_2})} were utilized to estimate the partial molar volume at infinite dilution {(overline{V_2^0})} , and experimental slope {(S_v^ast)} . The transfer volume, {(overline{V2^0}_(tr))} , and hydration number, ( n H) were also evaluated. The viscosity data were used to evaluate A- and B-coefficients of the Jones-Dole equation, the free energy of activation of viscous flow per mole of the solvent {left(Δ μ1^{0ast} right)} and the solute {left(Δ μ 2^{0ast} right)} . The molar refractivity ( R D) was calculated from refractive index data. The results were discussed in terms of hydrophilic-ionic, hydrophilic-hydrophobic, and hydrophobic-hydrophobic interactions, and structure-making/-breaking ability of the solute (AAs/peptide) in aqueous d-galactose solutions.

  3. Intrinsic alterations in the partial molar volume on the protein denaturation: surficial Kirkwood-Buff approach.

    Science.gov (United States)

    Yu, Isseki; Takayanagi, Masayoshi; Nagaoka, Masataka

    2009-03-19

    The partial molar volume (PMV) of the protein chymotrypsin inhibitor 2 (CI2) was calculated by all-atom MD simulation. Denatured CI2 showed almost the same average PMV value as that of native CI2. This is consistent with the phenomenological question of the protein volume paradox. Furthermore, using the surficial Kirkwood-Buff approach, spatial distributions of PMV were analyzed as a function of the distance from the CI2 surface. The profiles of the new R-dependent PMV indicate that, in denatured CI2, the reduction in the solvent electrostatic interaction volume is canceled out mainly by an increment in thermal volume in the vicinity of its surface. In addition, the PMV of the denatured CI2 was found to increase in the region in which the number density of water atoms is minimum. These results provide a direct and detailed picture of the mechanism of the protein volume paradox suggested by Chalikian et al.

  4. A Structural Molar Volume Model for Oxide Melts Part I: Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-Al2O3-SiO2 Melts—Binary Systems

    Science.gov (United States)

    Thibodeau, Eric; Gheribi, Aimen E.; Jung, In-Ho

    2016-04-01

    A structural molar volume model was developed to accurately reproduce the molar volume of molten oxides. As the non-linearity of molar volume is related to the change in structure of molten oxides, the silicate tetrahedral Q-species, calculated from the modified quasichemical model with an optimized thermodynamic database, were used as basic structural units in the present model. Experimental molar volume data for unary and binary melts in the Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-Al2O3-SiO2 system were critically evaluated. The molar volumes of unary oxide components and binary Q-species, which are model parameters of the present structural model, were determined to accurately reproduce the experimental data across the entire binary composition in a wide range of temperatures. The non-linear behavior of molar volume and thermal expansivity of binary melt depending on SiO2 content are well reproduced by the present model.

  5. Raman Line Imaging of Poly(ε-caprolactone)/Carbon Dioxide Solutions at High Pressures: A Combined Experimental and Computational Study for Interpreting Intermolecular Interactions and Free-Volume Effects.

    Science.gov (United States)

    Pastore Carbone, Maria Giovanna; Musto, Pellegrino; Pannico, Marianna; Braeuer, Andreas; Scherillo, Giuseppe; Mensitieri, Giuseppe; Di Maio, Ernesto

    2016-09-01

    In the present study, a Raman line-imaging setup was employed to monitor in situ the CO2 sorption at elevated pressures (from 0.62 to 7.10 MPa) in molten PCL. The method allowed the quantitative measurement of gas concentration in both the time-resolved and the space-resolved modes. The combined experimental and theoretical approach allowed a molecular level characterization of the system. The dissolved CO2 was found to occupy a volume essentially coincident with its van der Waals volume and the estimated partial molar volume of the probe did not change with pressure. Lewis acid-Lewis base interactions with the PCL carbonyls was confirmed to be the main interaction mechanism. The geometry of the supramolecular complex and the preferential interaction site were controlled more by steric than electronic effects. On the basis of the indications emerging from Raman spectroscopy, an equation of state thermodynamic model for the PCL-CO2 system, based upon a compressible lattice fluid theory endowed with specific interactions, has been tailored to account for the interaction types detected spectroscopically. The predictions of the thermodynamic model in terms of molar volume of solution have been compared with available volumetric measurements while predictions for CO2 partial molar volume have been compared with the values estimated on the basis of Raman spectroscopy.

  6. Excess molar volumes and refractive indices of (methoxybenzene+benzene, or toluene, or o-xylene, or m-xylene, or p-xylene, or mesitylene) binary mixtures between T=(288.15 to 303.15)K

    International Nuclear Information System (INIS)

    Al-Kandary, Jasem A.; Al-Jimaz, Adel S.; Abdul-Latif, Abdul-Haq M.

    2006-01-01

    Densities ρ and refractive indices n D for (anisole+benzene, or toluene, or o-xylene, or m-xylene or p-xylene or mesitylene) binary mixtures over the entire range of mole fraction, at temperatures (288.15, 293.15, 298.15, and 303.15)K and atmospheric pressure, have been measured. The excess molar volume V E and molar refraction deviation ΔR m , have been calculated and fitted to the Redlich-Kister polynomial relation to estimate the binary coefficients and standard errors. The excess molar volumes are positive for (anisole+mesitylene) binary mixtures and negative for (anisole+benzene, or toluene, or xylene isomers) binary mixtures at various temperatures. Partial molar volumes V-bar i and partial excess molar volumes V-bar i E have been also derived from the experimental data. The calculated values have been used to explain the dependency of intermolecular interaction between the mixing components on the alkyl substitution on benzene ring

  7. Thermodynamics of aqueous methyldiethanolamine (MDEA) and methyldiethanolammonium chloride (MDEAH+Cl-) over a wide range of temperature and pressure: Apparent molar volumes, heat capacities, and isothermal compressibilities

    International Nuclear Information System (INIS)

    Hawrylak, B.; Palepu, R.; Tremaine, Peter R.

    2006-01-01

    Apparent molar volumes of aqueous methyldiethanolamine and its salt were determined with platinum vibrating tube densitometers over a range of temperatures from 283K= o , heat capacities C p o , and isothermal compressibilities κ T o . The standard partial molar volumes V o for the neutral amine and its salt show increasingly positive and negative values, respectively, at high temperatures and pressures, as predicted by corresponding states and group additivity arguments. The density model and the revised Helgeson-Kirkham-Flowers (HKF) model have been used to represent the temperature and pressure dependence of the standard partial molar properties to yield a full thermodynamic description of the system

  8. Towards a universal method for calculating hydration free energies: a 3D reference interaction site model with partial molar volume correction

    International Nuclear Information System (INIS)

    Palmer, David S; Frolov, Andrey I; Ratkova, Ekaterina L; Fedorov, Maxim V

    2010-01-01

    We report a simple universal method to systematically improve the accuracy of hydration free energies calculated using an integral equation theory of molecular liquids, the 3D reference interaction site model. A strong linear correlation is observed between the difference of the experimental and (uncorrected) calculated hydration free energies and the calculated partial molar volume for a data set of 185 neutral organic molecules from different chemical classes. By using the partial molar volume as a linear empirical correction to the calculated hydration free energy, we obtain predictions of hydration free energies in excellent agreement with experiment (R = 0.94, σ = 0.99 kcal mol -1 for a test set of 120 organic molecules). (fast track communication)

  9. Towards a universal method for calculating hydration free energies: a 3D reference interaction site model with partial molar volume correction.

    Science.gov (United States)

    Palmer, David S; Frolov, Andrey I; Ratkova, Ekaterina L; Fedorov, Maxim V

    2010-12-15

    We report a simple universal method to systematically improve the accuracy of hydration free energies calculated using an integral equation theory of molecular liquids, the 3D reference interaction site model. A strong linear correlation is observed between the difference of the experimental and (uncorrected) calculated hydration free energies and the calculated partial molar volume for a data set of 185 neutral organic molecules from different chemical classes. By using the partial molar volume as a linear empirical correction to the calculated hydration free energy, we obtain predictions of hydration free energies in excellent agreement with experiment (R = 0.94, σ = 0.99 kcal mol (- 1) for a test set of 120 organic molecules).

  10. STEREOCHEMICAL ASPECTS OF HYDRATION OF CARBOHYDRATES IN AQUEOUS-SOLUTIONS .3. DENSITY AND ULTRASOUND MEASUREMENTS

    NARCIS (Netherlands)

    GALEMA, SA; HOILAND, H

    1991-01-01

    Density and ultrasound measurements have been performed in aqueous solutions of pentoses, hexoses, methylpyranosides, and disaccharides as a function of molality of carbohydrate (0-0.3 mol kg-1). Partial molar volumes, partial molar isentropic compressibilities, and hydration numbers have been

  11. Excess Molar Volumes of the Heptane ů 1-Chloropentane System at High Pressures and Elevated Temperatures

    Czech Academy of Sciences Publication Activity Database

    Linek, Jan; Morávková, Lenka

    2001-01-01

    Roč. 55, č. 6 (2001), s. 382-385 ISSN 0366-6352. [28th International Conference of SSCHE. Tatranské Matliare, 21.05.2001-25.05.2001] R&D Projects: GA ČR GA203/00/0600 Institutional research plan: CEZ:AV0Z4072921 Keywords : measurement * excess molar volumes * apparatus Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.349, year: 2001

  12. Electrolytic conductivity and molar heat capacity of two aqueous solutions of ionic liquids at room-temperature: Measurements and correlations

    International Nuclear Information System (INIS)

    Lin Peiyin; Soriano, Allan N.; Leron, Rhoda B.; Li Menghui

    2010-01-01

    As part of our systematic study on physicochemical characterization of ionic liquids, in this work, we report new measurements of electrolytic conductivity and molar heat capacity for aqueous solutions of two 1-ethyl-3-methylimidazolium-based ionic liquids, namely: 1-ethyl-3-methylimidazolium dicyanamide and 1-ethyl-3-methylimidazolium 2-(2-methoxyethoxy) ethylsulfate, at normal atmospheric condition and for temperatures up to 353.2 K. The electrolytic conductivity and molar heat capacity were measured by a commercial conductivity meter and a differential scanning calorimeter (DSC), respectively. The estimated experimental uncertainties for the electrolytic conductivity and molar heat capacity measurements were ±1% and ±2%, respectively. The property data are reported as functions of temperature and composition. A modified empirical equation from another researcher was used to correlate the temperature and composition dependence of the our electrolytic conductivity results. An excess molar heat capacity expression derived using a Redlich-Kister type equation was used to represent the temperature and composition dependence of the measured molar heat capacity and calculated excess molar heat capacity of the solvent systems considered. The correlations applied represent the our measurements satisfactorily as shown by an acceptable overall average deviation of 6.4% and 0.1%, respectively, for electrolytic conductivity and molar heat capacity.

  13. The molar enthalpies of solution and vapour pressures of saturated aqueous solutions of some cesium salts

    International Nuclear Information System (INIS)

    Apelblat, Alexander; Korin, Eli

    2006-01-01

    Vapour pressures of water over saturated solutions of cesium chloride, cesium bromide, cesium nitrate, cesium sulfate, cesium formate, and cesium oxalate were determined as a function of temperature. These vapour pressures were used to evaluate the water activities, osmotic coefficients and molar enthalpies of vapourization. Molar enthalpies of solution of cesium chloride, Δ sol H m (T = 295.73 K; m = 0.0622 mol . kg -1 ) = (17.83 ± 0.50) kJ . mol -1 ; cesium bromide, Δ sol H m (T = 293.99 K; m = 0.0238 mol . kg -1 ) = (26.91 ± 0.59) kJ . mol -1 ; cesium nitrate, Δ sol H m (T = 294.68 K; m = 0.0258 mol . kg -1 ) = (37.1 ± 2.3) kJ . mol -1 ; cesium sulfate, Δ sol H m (T = 296.43 K; m = 0.0284 mol . kg -1 ) (16.94 ± 0.43) kJ . mol -1 ; cesium formate, Δ sol H m (T = 295.64 K; m = 0.0283 mol . kg -1 ) = (11.10 ± 0.26) kJ . mol -1 and Δ sol H m (T = 292.64 K; m = 0.0577 mol . kg -1 ) = (11.56 ± 0.56) kJ . mol -1 ; and cesium oxalate, Δ sol H m (T = 291.34 K; m = 0.0143 mol . kg -1 ) = (22.07 ± 0.16) kJ . mol -1 were determined calorimetrically. The purity of the chemicals was generally greater than 0.99 mass fraction, except for HCOOCs and (COOCs) 2 where purities were approximately 0.95 and 0.97 mass fraction, respectively. The uncertainties are one standard deviations

  14. 2-甲基-3-丁烯-2-醇+直链一元醇二元体系的过量摩尔体积和表观摩尔体积298.15 K)%Excess Molar Volume and Apparent Molar Volume of Binary Mixtures of 2-Methyl-3-buten-2-ol with 1-Alcohol at 298.15 K

    Institute of Scientific and Technical Information of China (English)

    刘迪霞; 李浩然; 邓东顺; 韩世钧

    2002-01-01

    Excess molar volumes (VEm) of binary mixtures of 2-methyl-3-buten-2-ol [CH3C(OH)(CH3)CHCH2]with four 1-alcohols: methanol, ethanol, 1-propanol and 1-butanol at 298.15 K and atmospheric pressure are derived from density measurements with a vibrating-tube densimeter. All the excess volumes are negative in the systems over the entire composition range. The results are correlated with the Redlich-Kister equation. The effects of chain length of 1-alcohols on VmE are discussed. The apparent molar volumes of 2-methyl-3-buten-2-ol and 1-alcohols are calculated respectively.

  15. Qualitative Observations Concerning Packing Densities for Liquids, Solutions, and Random Assemblies of Spheres

    Science.gov (United States)

    Duer, W. C.; And Others

    1977-01-01

    Discusses comparisons of packing densities derived from known molar volume data of liquids and solutions. Suggests further studies for using assemblies of spheres as models for simple liquids and solutions. (MLH)

  16. Blending Octane Number of Ethanol on a Volume and Molar Basis in SI and HCCI Combustion Modes

    KAUST Repository

    Waqas, Muhammad Umer; Morganti, Kai; Masurier, Jean-Baptiste; Johansson, Bengt

    2017-01-01

    The blending behavior of ethanol in five different hydrocarbon base fuels with octane numbers of approximately 70 and 84 was examined under Spark-Ignited (SI) and Homogeneous Charge Compression Ignited (HCCI) operating conditions. The Blending octane number (BON) was used to characterize the blending behavior on both a volume and molar basis. Previous studies have shown that the blending behavior of ethanol generally follows several well-established rules. In particular, non-linear blending effects are generally observed on a volume basis (i.e. BON > RON or MON of pure ethanol; 108 and 89, respectively), while linear blending effects are generally observed on a molar basis (i.e. BON = RON or MON of pure ethanol). This work firstly demonstrates that the non-linear volumetric blending effects traditionally observed under SI operating conditions are also observed under HCCI operating conditions. In keeping with previous studies, the degree of this non-linearity is shown to be a function of the base fuel composition and octane number. By contrast, the molar blending approach is shown to behave differently depending on the chosen combustion mode, with some non-linearity observed under HCCI operating conditions (i.e. BON RON or MON of pure ethanol). This suggests that the well-established blending rules for SI operating conditions may not always be relevant to other combustion modes that operate with globally lean or diluted air-fuel mixtures. This has implications for the design of future fuel specifications.

  17. Blending Octane Number of Ethanol on a Volume and Molar Basis in SI and HCCI Combustion Modes

    KAUST Repository

    Waqas, Muhammad Umer

    2017-10-08

    The blending behavior of ethanol in five different hydrocarbon base fuels with octane numbers of approximately 70 and 84 was examined under Spark-Ignited (SI) and Homogeneous Charge Compression Ignited (HCCI) operating conditions. The Blending octane number (BON) was used to characterize the blending behavior on both a volume and molar basis. Previous studies have shown that the blending behavior of ethanol generally follows several well-established rules. In particular, non-linear blending effects are generally observed on a volume basis (i.e. BON > RON or MON of pure ethanol; 108 and 89, respectively), while linear blending effects are generally observed on a molar basis (i.e. BON = RON or MON of pure ethanol). This work firstly demonstrates that the non-linear volumetric blending effects traditionally observed under SI operating conditions are also observed under HCCI operating conditions. In keeping with previous studies, the degree of this non-linearity is shown to be a function of the base fuel composition and octane number. By contrast, the molar blending approach is shown to behave differently depending on the chosen combustion mode, with some non-linearity observed under HCCI operating conditions (i.e. BON RON or MON of pure ethanol). This suggests that the well-established blending rules for SI operating conditions may not always be relevant to other combustion modes that operate with globally lean or diluted air-fuel mixtures. This has implications for the design of future fuel specifications.

  18. Cone beam volume tomography: an imaging option for diagnosis of complex mandibular third molar anatomical relationships.

    Science.gov (United States)

    Danforth, Robert A; Peck, Jerry; Hall, Paul

    2003-11-01

    Complex impacted third molars present potential treatment complications and possible patient morbidity. Objectives of diagnostic imaging are to facilitate diagnosis, decision making, and enhance treatment outcomes. As cases become more complex, advanced multiplane imaging methods allowing for a 3-D view are more likely to meet these objectives than traditional 2-D radiography. Until recently, advanced imaging options were somewhat limited to standard film tomography or medical CT, but development of cone beam volume tomography (CBVT) multiplane 3-D imaging systems specifically for dental use now provides an alternative imaging option. Two cases were utilized to compare the role of CBVT to these other imaging options and to illustrate how multiplane visualization can assist the pretreatment evaluation and decision-making process for complex impacted mandibular third molar cases.

  19. A principle to correlate extreme values of excess thermody-namic functions with partial molar quantities

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Excess thermodynamic properties are widely used quantitatively for fluids. It was found that at constant temperature and pressure a molar excess quantity of a mutually miscible binary mixture at the extreme points equals the excess partial molar quantities of the two components, i.e. , forming a triple cross point. The relationship is hold for properties such as enthalpy, entropy, Gibbs free energy, and volume, and is applicable for excess functions with multi extreme points. Solutions at extreme points can be referred to as special mixtures. Particularly for a special mixture of Gibbs free energy, activity coefficients of the two components are identical.

  20. Density, viscosity and excess molar volume of binary mixtures of tri-n-octylamine + diluents (n-heptane, n-octane, n-nonane, and n-decane) at various temperatures

    International Nuclear Information System (INIS)

    Fang, Sheng; Zuo, Xiao-Bo; Xu, Xue-Jiao; Ren, Da-Hai

    2014-01-01

    Highlights: • Densities and viscosities of tri-n-octylamine + n-heptane, +n-octane, +n-nonane, or +n-decane are determined. • The excess molar volume is calculated. • The Grunberg and Nissan equation and Fang and He equation are used to correlate the binary viscosities. -- Abstract: Densities (ρ) and viscosities (η) for binary mixtures of tri-n-octylamine (TOA) + n-heptane, TOA + n-octane, TOA + n-nonane, and TOA + n-decane are determined at T (283.15, 293.15, and 303.15) K and atmospheric pressure. The excess molar volume is calculated from the density data and is correlated by a Redlich–Kister type equation. The excess molar volume is negative for all the four systems. The results show that the volume accommodation effect is predominant in these systems. The Grunberg and Nissan equation and Fang and He equation for binary mixtures are used to correlate the experimental viscosity data. The Fang and He equation gives an average absolute deviation (AAD%) of 0.8% for TOA with alkane mixtures, better than that of 3.8% given by the Grunberg and Nissan equation

  1. Excess molar volumes and deviation in viscosities of binary liquid mixtures of acrylic esters with hexane-1-ol at 303.15 and 313.15 K

    Directory of Open Access Journals (Sweden)

    Sujata S. Patil

    2014-12-01

    Full Text Available Densities and viscosities for the four binary liquid mixtures of methyl acrylate, ethyl acrylate, butyl acrylate and methyl methacrylate with hexane-1-ol at temperatures 303.15 and 313.15 K and at atmospheric pressure were measured over the entire composition range. These values were used to calculate excess molar volumes and deviation in viscosities which were fitted to Redlich–Kister polynomial equation. Recently proposed Jouyban Acree model was also used to correlate the experimental values of density and viscosity. The mixture viscosities were correlated by several semi-empirical approaches like Hind, Choudhary–Katti, Grunberg–Nissan, Tamura and Kurata, McAllister three and four body model equations. A graphical representation of excess molar volumes and deviation in isentropic compressibility shows positive nature whereas deviation in viscosity shows negative nature at both temperatures for all four binary liquid mixtures. Positive values of excess molar volumes show that volume expansion is taking place causing rupture of H-bonds in self associated alcohols. The results were discussed in terms of molecular interactions prevailing in the mixtures.

  2. Effect of dipotassium hydrogen phosphate on thermodynamic properties of glycine and L-alanine in aqueous solutions at different temperatures

    International Nuclear Information System (INIS)

    Kumar, Harsh; Kaur, Kirtanjot

    2012-01-01

    Highlights: ► Densities and speeds of sound of amino acids in DKHP. ► Apparent molar volume and apparent molar compressibilities were calculated. ► The partial molar expansibilities at infinite dilution φ E 0 were obtained. ► Hydration number n H was calculated. ► The results are discussed in terms of solute–solvent interactions. - Abstract: Densities, ρ, speed of sound, u for glycine, L-alanine have been measured in aqueous solutions of dipotassium hydrogen phosphate (DKHP) ranging from 0.2, 0.4, 0.6 and 0.8 mol·kg −1 at temperatures T = (288.15, 298.15, 308.15 and 318.15) K. The different parameters such as apparent molar volume, limiting apparent molar volume, transfer volume, partial molar expansibility have been derived from density data. Experimental speeds of sound data were used to estimate apparent molar adiabatic compressibility, limiting apparent molar adiabatic compressibility, transfer parameter and hydration number. These parameters have been discussed in the light of ion-ion and ion-solvent interactions.

  3. A principle to correlate extreme values of excess thermodynamic functions with partial molar quantities

    Institute of Scientific and Technical Information of China (English)

    尉志武; 刘芸; 周蕊; 薛芳渝

    2001-01-01

    Excess thermodynamic properties are widely used quantitatively for fluids. It was found that at constant temperature and pressure a molar excess quantity of a mutually miscible binary mixture at the extreme points equals the excess partial molar quantities of the two components, i.e.F1E = F2E = FmE , forming a triple cross point. The relationship is hold for properties such as en-thalpy, entropy, Gibbs free energy, and volume, and is applicable for excess functions with multi extreme points. Solutions at extreme points can be referred to as special mixtures. Particularly fora special mixture of Gibbs free energy, activity coefficients of the two components are identical.

  4. Predicción del volumen molar y la entalpía molar de vaporización de moléculas orgánicas usando variables determinadas mediante el modelo de apantallamiento tipo conductor (COSMO

    Directory of Open Access Journals (Sweden)

    José G. Parra

    2011-12-01

    Full Text Available Using the method of solvation Conductor-like Screening Model (COSMO and the method of Amovilli-Menucci GAMESS program content, we estimated the free energies of van der Waals and electrostatic of organic molecules in their dielectric medium. With these energy and volume of the solute cavity, we designed two models of structure-property relationship (QSPR to determine the molar volume and enthalpy of vaporization to the ebullition temperature of organic molecules. The best obtained model using the molecular volume presents a correlation equal to 0.9949 and the correlation of the model using the enthalpy of vaporization was 0. 9895.

  5. Estudio de mezclas de disolventes orgánicos y triglicéridos de aceite de linaza o los ácidos grasos libres. I.- Volumen molar, refracción molar y viscosidad dinámica

    Directory of Open Access Journals (Sweden)

    Mantell Serrano, C.

    1995-06-01

    Full Text Available Measurements of molar volume, refraction index and dynamic viscosity in mixtures of fatty acids or triglycerides and trichloroethylene, tetrachloroethylene and hexane were realized. Temperature range studied was 278-313 K each 5 K. The relationship between molar volume and molar fraction show high correlation coefficient In fatty acids with trichloroethylene and tetrachloroethylene mixtures. On the other hand, hexane mixtures show little contractions of molar volume at low molar fractions. Triglyceride mixtures present important deviations with regard to the ideality of the molar volume. The adjusts obtained for the molar volume values versus temperature are acceptable, calculating the coefficients of thermal expansion of the studied mixtures. Equally, the adjust of the experimental results of viscosity for two prediction equations are studied: one of additive type and the other of parabolic type.

    Se han realizado medidas del volumen molar, índice de refracción y viscosidad dinámica en el intervalo de temperatura de 278 K a 313 K cada 5 K, a mezclas de ácidos grasos o triglicéridos con tricloroetileno, tetracloroetileno y hexano. Las mezclas de ácidos grasos con tricloroetileno y tetracloroetileno, presentan unos altos coeficientes de correlación para los valores del volumen molar frente a la fracción molar, mientras que las mezclas con hexano, a fracciones molares bajas, manifiestan una pequeña contracción del volumen molar. Las mezclas de triglicéridos presentan importantes desviaciones con respecto a la Idealidad del volumen molar. Los ajustes obtenidos para los valores del volumen molar frente a la temperatura son aceptables, determinándose los valores del coeficiente de dilatación volumétrica a presión constante de las mezclas estudiadas. Igualmente se ha estudiado el ajuste de los resultados experimentales de viscosidad a dos ecuaciones de predicción: una del tipo aditiva y otra del tipo parabólico.

  6. Effects of solution volume on hydrogen production by pulsed spark discharge in ethanol solution

    Energy Technology Data Exchange (ETDEWEB)

    Xin, Y. B.; Sun, B., E-mail: sunb88@dlmu.edu.cn; Zhu, X. M.; Yan, Z. Y.; Liu, H.; Liu, Y. J. [College of Environmental Science and Engineering, Dalian Maritime University, Dalian 116026 (China)

    2016-07-15

    Hydrogen production from ethanol solution (ethanol/water) by pulsed spark discharge was optimized by varying the volume of ethanol solution (liquid volume). Hydrogen yield was initially increased and then decreased with the increase in solution volume, which achieved 1.5 l/min with a solution volume of 500 ml. The characteristics of pulsed spark discharge were studied in this work; the results showed that the intensity of peak current, the rate of current rise, and energy efficiency of hydrogen production can be changed by varying the volume of ethanol solution. Meanwhile, the mechanism analysis of hydrogen production was accomplished by monitoring the process of hydrogen production and the state of free radicals. The analysis showed that decreasing the retention time of gas production and properly increasing the volume of ethanol solution can enhance the hydrogen yield. Through this research, a high-yield and large-scale method of hydrogen production can be achieved, which is more suitable for industrial application.

  7. Volumetric study of aqueous proline-leucine solutions from (283.15 to 318.15) K

    International Nuclear Information System (INIS)

    Mendonca, Angela F.S.S.; Barbas, Maria Joao A.; Freitas, Jose M.; Lampreia, Isabel M.S.

    2004-01-01

    Density data for very diluted aqueous solutions of proline-leucine are reported for eight different temperatures from (283.15 to 318.15) K. Measurements were made using a vibrating tube densimeter. Apparent molar volumes of the dipeptide were calculated, at each temperature, and least squares fitted to linear equations. A weighted method with weighting factors inversely proportional to the square of the individual uncertainties has been used. Limiting partial molar volumes, V m,2 ∞ and S v values were obtained from the intercepts and slopes of those equations. Negative slopes were obtained for the lower temperatures against positive values for the higher. Trends of the values obtained are an evidence of the overwhelming contribution of the hydrophobic interactions at lower temperatures. Limiting partial molar isobaric expansions, E P,m,2 ∞ , have been also calculated using the temperature derivatives of the corresponding volumes, showing negative values. The decrease of their absolute values, with increasing temperature, points out to predominant structure maker behaviour of the solute

  8. Synthesis of 1,3-Dimethylimidazolium Chloride and Volumetric Property Investigations of Its Aqueous Solution

    Science.gov (United States)

    Dong, L.; Zheng, D. X.; Wei, Z.; Wu, X. H.

    2009-10-01

    By investigating the vapor pressure of the solvent and the affinity between ionic liquids (ILs) and the solvent, it is proposed that 1,3-dimethylimidazolium chloride ([Mmim]Cl) has the potential to be used as a novel absorbent species with the absorption cycle working fluid. Adopting a high-pressure reaction kettle, the method of gas-liquid phase reaction was used to synthesize [Mmim]Cl under the conditions of 348.15 K and 0.7 MPa. The densities of [Mmim]Cl aqueous solutions were measured for mass fractions in the range from 20% to 90% at 293.15 K, 298.15 K, 303.15 K, 308.15 K, 313.15 K, and 318.15 K with a digital vibrating-tube densimeter. The excess volume, the apparent molar volume, the partial molar volume, and the apparent molar expansibility of this system were investigated, and the influences of variations of the cation and anion on the density of several IL aqueous solutions are discussed.

  9. Extended Excluded Volume: Its Origin and Consequences

    Czech Academy of Sciences Publication Activity Database

    Nezbeda, Ivo; Rouha, M.

    2013-01-01

    Roč. 85, č. 1 (2013), s. 201-210 ISSN 0033-4545. [International Conference on Solution Chemistry (ICSC-32) /32./. La Grande Motte, 28.08.2011-02.09.2011] R&D Projects: GA AV ČR IAA400720802 Institutional support: RVO:67985858 Keywords : excluded volume * partial molar volume * primitive models Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.112, year: 2013

  10. Acoustic and volumetric properties of betaine hydrochloride drug in aqueous D(+)-glucose and sucrose solutions

    International Nuclear Information System (INIS)

    Ryshetti, Suresh; Gupta, Akash; Tangeda, Savitha Jyostna; Gardas, Ramesh L.

    2014-01-01

    Highlights: • Density and speed of sound are measured for B.HCl drug in aq. D(+)-glucose and sucrose. • Solvation behavior of B.HCl drug studied in aqueous D(+)-glucose and sucrose. • Cosphere overlap model is used to understand the transfer partial molar volume. • Hepler’s constant indicated structure making ability of B.HCl drug in studied systems. - Abstract: The densities (ρ) and speeds of sound (u) of betaine hydrochloride (B.HCl) drug (0.01 to 0.06) mol · kg −1 in (0.10, 0.20 and 0.30) mol · kg −1 aqueous D(+)-glucose and sucrose solutions are reported as a function of temperature at T = (293.15 to 313.15) K and atmospheric pressure. The values of density (ρ) and speed of sound (u) are obtained with high precision. These values have been used to estimate the apparent molar volume (V 2,ϕ ), partial molar volume (V 2 ∞ ), transfer partial molar volume (Δ t V 2 ∞ ), apparent molar isentropic compressibility (K s,2,ϕ ), partial molar isentropic compressibility (K s,2 ∞ ), transfer partial molar compressibility (Δ t K s,2 ∞ ), hydration number (N H ), partial molar expansion (E 2 ∞ ) and Hepler’s constant (∂ 2 V 2 ∞ /∂T 2 ) P . Furthermore, pair (V AB and K AB ) and triplet (V ABB and K ABB ) interaction coefficients have been computed from the values of Δ t V 2 ∞ and Δ t K s,2 ∞ . The co-sphere overlap model is used to understand the values of Δ t V 2 ∞ and Δ t K s,2 ∞ . The positive values of (∂ 2 V 2 ∞ /∂T 2 ) P indicate structure making ability of betaine hydrochloride in aqueous D(+)-glucose and sucrose solutions at the temperatures and compositions investigated

  11. A contact-free volumetric measurement of facial volume after third molar osteotomy: proof of concept.

    Science.gov (United States)

    Brüllmann, Dan; Jürchott, Lena Marie; John, Christoph; Trempler, Christina; Schwanecke, Ulrich; Schulze, Ralf K W

    2014-01-01

    The present study tested the reliability of an optical scanning device for the objective assessment of postoperative facial swelling. Twenty control subjects bearing a defined volume of water (10-30 mL) in an intraorally carried balloon were tested to assess the measurement accuracy of the device. As a proof of concept, facial volumes of 59 surgical cases were recorded before osteotomy and 1 and 7 days after intervention with the use of a structured light scanner. The median difference between the applied and the measured volumes was 0.67 mL for the control test with the artificial swelling simulated using water balloons. For subjects having third molar osteotomy, extraoral volume increased to 5.29 cm(3) 1 day after surgery (95% CI 5.22-8.52) and decreased to 0.00 mL (95% CI 0.85-2.55) after 7 days. Contact-free visible-light 3-dimensional scanning is reliable for the objective assessment of postoperative facial swelling. Copyright © 2014 Elsevier Inc. All rights reserved.

  12. Volumetric properties for glycine and L-serine in aqueous solutions of 1-Ethyl-3-methylimidazolium hydrogen sulfate ([Emim][HSO4]) at T = (293.15–313.15) K and ambient pressure

    International Nuclear Information System (INIS)

    Rafiee, Hamid Reza; Frouzesh, Farshid

    2016-01-01

    Highlights: • Ternary systems (amino acid + ionic liquid + H 2 O) are considered. • Volumetric properties including density, V φ , ΔV φ 0 and E φ 0 are determined. • Glycine and L-serine were amino acids and [Emim][HSO 4 ] was IL studied. • V φ values for amino acids increased with both concentration of amino acids and temperature. • Both studied amino acids act as structure maker in ternary systems. - Abstract: By using the volumetric properties, the solute–solvent interactions are studied in the ternary (glycine + 1-Ethyl-3-methylimidazolium hydrogen sulfate [Emim][HSO 4 ] + water) and (L-serine + 1-Ethyl-3-methylimidazolium hydrogen sulfate [Emim][HSO 4 ] + water) systems. For this purpose, the apparent molar volumes, V φ , are calculated from the experimental density data. To obtain limiting apparent molar volumes V φ 0 , the apparent molar volume values are fitted to the Redlich-Mayer type equation. Then the limiting apparent molar volumes of transfer, ΔV φ 0 , for studied amino acids from water to aqueous solutions of ionic liquid (IL) are calculated. The results showed that the ΔV φ 0 values are negative for both ternary systems at all temperatures. The limiting apparent molar expansibility E φ 0 values have been obtained from the first derivative of limiting apparent molar volumes with respect to temperature. The values of second derivative of limiting apparent molar volumes respect to temperature show the structure making or breaking ability of glycine and L-serine in studied IL aqueous solutions. The results indicated that glycine and L-serine act as structure maker in studied solutions. McMillan–Mayer theory is used for evaluating the interaction parameters. Also the hydration number, n H , for both amino acids in ternary solutions has been reported.

  13. Permittivity, molar volume and crytical phenomena near the lambda-point in liquid 4He

    International Nuclear Information System (INIS)

    Panov, V.I.; Khvostikov, V.A.

    1982-01-01

    The permittivity, molar volume and thermal expansion coefficient at the saturated vapor pressure are measured for liquid helium 4 He in the temperature range from 1.4 to 4.2 K. It is shown that the thermal expansion coefficient at saturated vapor pressure near the lambda-transition can be described with a high degree of accuracy by a logarithmic function. The values of the critical indexes obtained by studying the nature of the divergence of the isobaric thermal expansion coefficient at 1x10sup(-5) Tsub(lambda) and α'=0.000+-0.0025 for T 4 He near the lambda transition

  14. Thermodynamic studies of aqueous and CCl4 solutions of 15-crown-5 at 298.15 K: an application of McMillan-Mayer and Kirkwood-Buff theories of solutions.

    Science.gov (United States)

    Dagade, Dilip H; Shetake, Poonam K; Patil, Kesharsingh J

    2007-07-05

    The density and osmotic coefficient data for solutions of 15-crown-5 (15C5) in water and in CCl4 solvent systems at 298.15 K have been reported using techniques of densitometry and vapor pressure osmometry in the concentration range of 0.01-2 mol kg-1. The data are used to obtain apparent molar and partial molar volumes, activity coefficients of the components as a function of 15C5 concentration. Using the literature heat of dilution data for aqueous system, it has become possible to calculate entropy of mixing (DeltaS(mix)), excess entropy of solution (DeltaS(E)), and partial molar entropies of the components at different concentrations. The results of all these are compared to those obtained for aqueous 18-crown-6 solutions reported earlier. It has been observed that the partial molar volume of 15C5 goes through a minimum and that of water goes through a maximum at approximately 1.2 mol kg(-1) in aqueous solutions whereas the opposite is true in CCl4 medium but at approximately 0.5 mol kg(-1). The osmotic and activity coefficients of 15C5 and excess free energy change for solution exhibit distinct differences in the two solvent systems studied. These results have been explained in terms of hydrophobic hydration and interactions in aqueous solution while weak solvophobic association of 15C5 molecules in CCl4 solutions is proposed. The data are further subjected to analysis by applying McMillan-Mayer and Kirkwood-Buff theories of solutions. The analysis shows that osmotic second virial coefficient value for 15C5 is marginally less than that of 18C6 indicating that reduction in ring flexibility does not affect the energetics of the interactions much in aqueous solution while the same gets influenced much in nonpolar solvent CCl4.

  15. Theoretical study of the partial molar volume change associated with the pressure-induced structural transition of ubiquitin.

    Science.gov (United States)

    Imai, Takashi; Ohyama, Shusaku; Kovalenko, Andriy; Hirata, Fumio

    2007-09-01

    The partial molar volume (PMV) change associated with the pressure-induced structural transition of ubiquitin is analyzed by the three-dimensional reference interaction site model (3D-RISM) theory of molecular solvation. The theory predicts that the PMV decreases upon the structural transition, which is consistent with the experimental observation. The volume decomposition analysis demonstrates that the PMV reduction is primarily caused by the decrease in the volume of structural voids in the protein, which is partially canceled by the volume expansion due to the hydration effects. It is found from further analysis that the PMV reduction is ascribed substantially to the penetration of water molecules into a specific part of the protein. Based on the thermodynamic relation, this result implies that the water penetration causes the pressure-induced structural transition. It supports the water penetration model of pressure denaturation of proteins proposed earlier.

  16. Excess molar volumes of the ternary system {methylcyclohexane (1)+cyclohexane (2)+n-alkanes (3)} at T=298.15 K

    International Nuclear Information System (INIS)

    Iloukhani, Hossein; Rezaei-Sameti, Mahdi

    2005-01-01

    Densities were experimentally determined in the whole range of composition at T=298.15 K for the ternary system {methylcyclohexane (1)+cyclohexane (2)+n-alkanes (3)} and for the seven corresponding binary systems. The n-alkanes include n-hexane, n-heptane, and n-octane. Excess molar volumes, V E , were calculated for the binaries and ternaries systems. The V 123 E data are positive over the entire range of composition for the systems {methylcyclohexane (1)+cyclohexane (2)+n-heptane (3) or n-octane (3)} at three fixed compositions (f m =X 1 /X 2 ). For the system {methylcyclohexane (1)+cyclohexane (2)+n-hexane (3)}, the V E values showed positive for f m =0.3 and negative for f m =3. The V E data exhibit, an inversion in sign in the mixture containing f m =1 for later ternary system. Several empirical expressions are used to predict and correlate the ternary excess molar volumes from experimental results on the constituted binaries and analyzed to gain insight about liquid mixture interactions

  17. Solution volumes finis polynomiale par morceaux pour les ...

    African Journals Online (AJOL)

    Nous présentons dans ce papier un concept de solution volumes finis continue pour des problèmes de diffusion-convection avec des données régulières. Nous comparons dans certains cas particuliers la solution proposée avec la solution volumes finis classiques (qui est une fonction constante par morceaux) et la ...

  18. A notable difference between ideal gas and infinite molar volume limit of van der Waals gas

    International Nuclear Information System (INIS)

    Liu, Q H; Shen, Y; Bai, R L; Wang, X

    2010-01-01

    The van der Waals equation of state does not sufficiently represent a gas unless a thermodynamic potential with two proper and independent variables is simultaneously determined. The limiting procedures under which the behaviour of the van der Waals gas approaches that of an ideal gas are letting two van der Waals coefficients be zero rather than letting the molar volume become infinitely large; otherwise, the partial derivative of internal energy with respect to pressure at a fixed temperature does not vanish.

  19. A notable difference between ideal gas and infinite molar volume limit of van der Waals gas

    Science.gov (United States)

    Liu, Q. H.; Shen, Y.; Bai, R. L.; Wang, X.

    2010-05-01

    The van der Waals equation of state does not sufficiently represent a gas unless a thermodynamic potential with two proper and independent variables is simultaneously determined. The limiting procedures under which the behaviour of the van der Waals gas approaches that of an ideal gas are letting two van der Waals coefficients be zero rather than letting the molar volume become infinitely large; otherwise, the partial derivative of internal energy with respect to pressure at a fixed temperature does not vanish.

  20. Density, viscosity, surface tension, and molar volume of propylene glycol + water mixtures from 293 to 323 K and correlations by the Jouyban–Acree model

    Directory of Open Access Journals (Sweden)

    Ibrahim S. Khattab

    2017-02-01

    Full Text Available Density, viscosity, surface tension and molar volume of propylene glycol + water mixtures at 293, 298, 303, 308, 313, 318, and 323 K are reported, compared with the available literature data and the Jouyban–Acree model was used for mathematical correlation of the data. The mean relative deviation (MRD was used as an error criterion and the MRD values for data correlation of density, viscosity, surface tension and molar volume at different investigated temperatures are 0.1 ± 0.1%, 7.6 ± 6.4%, 3.4 ± 3.7%, and 0.4 ± 0.4%, respectively. The corresponding MRDs for the predicted properties after training the model using the experimental data at 298 K are 0.1 ± 0.2%, 12.8 ± 9.3%, 4.7 ± 4.1% and 0.6 ± 0.5%, respectively for density, viscosity, surface tension, and molar volume data.

  1. Volumetric properties of glucose in aqueous HCI solutions at temperatures from 278.15 to 318.15 K

    Institute of Scientific and Technical Information of China (English)

    ZHUO Kelei; ZHANG Qiufen; XUAN Xiaopeng; ZHANG Hucheng; WANG Jianji

    2007-01-01

    Densities have been measured for Glucose+HC1 +Water at 10-degree intervals from 278.15 to 318.15 K.The apparent molar volumes (Vφ,G) and standard partial molar volumes (V0φ,G) for Glucose in aqueous solution of 0.2,0.4,0.7,1.1,1.6,2.1 mol.kg-1 HCI have been calculated as well as volumetric interaction parameters (VEG) for Glucose-HC1 in water and standard partial molar expansion coefficients ((e)V0φ,G/(e)T)p.Results show that (1) the apparent molar volume for Glucose in aqueous HC1 solutions increases lineally with increasing molality of Glucose and HC1; (2) V0φ,Gfor Glucose in aqueous HC1 solutions increases lineally with increasing molality of HC1; (3) the volumetric interaction parameters for Glucose-HC1 pair in water are small positive and vary slightly with temperature; (4) the relation between V0φ,G and temperature exists as V0φ,G =α0+α1(T-273.15 K)2/3;(5)values of((e)V0φ,G/(e)T)p are positive and increase as temperatures rise,and at given temperatures decrease slightly with increasing molalities of HC1,indicating that the hydration of glucose decreases with increasing temperature and molality of HCI.These phenomena are interpreted successfully by the structure interaction model.

  2. (Vapour + liquid) equilibria, volumetric and compressibility behaviour of binary and ternary aqueous solutions of 1-hexyl-3-methylimidazolium chloride, methyl potassium malonate, and ethyl potassium malonate

    International Nuclear Information System (INIS)

    Sadeghi, Rahmat; Mahdavi, Adibeh

    2012-01-01

    Highlights: ► VLE and volumetry of binary and ternary [C 6 mim][Cl], MPM and EPM aqueous solutions. ► Constant a w lines show small negative deviation from the linear isopiestic relation. ► Solute–water interactions follow the order: EPM > MPM > [C 6 mim][Cl]. ► MPM and EPM have a very weak salting-out effect on [C 6 mim][Cl] aqueous solutions. - Abstract: (Vapour + liquid) equilibrium data (water activity, vapour pressure, osmotic coefficient, and activity coefficient) of binary aqueous solutions of 1-hexyl-3-methylimidazolium chloride ([C 6 mim][Cl]), methyl potassium malonate, and ethyl potassium malonate and ternary {[C 6 mim][Cl] + methyl potassium malonate} and {[C 6 mim][Cl] + ethyl potassium malonate} aqueous solutions were obtained through the isopiestic method at T = 298.15 K. These results reveal that the ionic liquid behaves as surfactant-like and aggregates in aqueous solutions at molality about 0.4 mol · kg −1 . The constant water activity lines of all the ternary systems investigated show small negative deviations from the linear isopiestic relation (Zdanovskii–Stokes–Robinson rule) derived using the semi-ideal hydration model. The density and speed of sound measurements were carried out on solutions of methyl potassium malonate and ethyl potassium malonate in water and of [C 6 mim][Cl] in aqueous solutions of 0.25 mol · kg −1 methyl potassium malonate and ethyl potassium malonate at T = (288.15 to 308.15) K at atmospheric pressure. From the experimental density and speed of sound data, the values of the apparent molar volume, apparent molar isentropic compressibility and excess molar volume were evaluated and from which the infinite dilution apparent molar volume and infinite dilution apparent molar isentropic compressibility were calculated at each temperature. Although, there are no clear differences between the values of the apparent molar volume of [C 6 mim][Cl] in pure water and in methyl potassium malonate or ethyl

  3. Volumetric and viscometric studies of some drugs in aqueous solutions at different temperatures

    International Nuclear Information System (INIS)

    Dhondge, Sudhakar S.; Zodape, Sangesh P.; Parwate, Dilip V.

    2012-01-01

    Highlights: ► Study of aqueous solutions of biologically important compounds has been reported. ► MH is used for treating type II diabetes, RH is in treatment of peptic ulcer and TH is used to treat severe pain. ► All the compounds act as structure makers by volumetric studies. ► MH and RH act as weak structure breakers and TH acts as a weak structure maker by viscometric studies. - Abstract: Density and viscosity measurements are reported for aqueous solutions of the drugs like Metformin hydrochloride (MH), Ranitidine hydrochloride (RH) and Tramadol hydrochloride (TH) at different temperatures T = (288.15, 298.15, and 308.15) K within the concentration range (0 to 0.15) mol · kg −1 . The density and viscosity data are used to obtain apparent molar volume of solute (φ V ) and relative viscosity (η r ) of aqueous solutions at different temperatures. The limiting apparent molar volume of solute (φ V 0 ), limiting apparent molar expansivity (φ E 0 ), thermal expansion coefficient (α ∗ ), hydration number (n h ), Jones–Dole equation viscosity A and B coefficients, experimental slope (S V ) at different temperatures, and temperature coefficient of Bi.e.(dB/dT) at T = 298.15 K were also obtained. The results obtained have been interpreted in terms of solute–solvent and solute–solute interactions and structure making/breaking ability of solute in the aqueous solution.

  4. Interactions of glycine, L-alanine and L-valine with aqueous solutions of trisodium citrate at different temperatures: A volumetric and acoustic approach

    International Nuclear Information System (INIS)

    Kumar, Harsh; Singla, Meenu; Jindal, Rajeev

    2013-01-01

    Highlights: • Densities and speeds of sound of amino acids in aqueous trisodium citrate. • Positive values of transfer volume indicates interactions between ions of amino acids and TSC. • Ion–hydrophilic and hydrophilic–hydrophilic interactions are present. • Pair-wise interactions are dominant in the mixtures. -- Abstract: Densities, ρ, and speed of sound, u for glycine, L-alanine and L-valine in (0.2, 0.4, 0.6, and 0.8) mol · kg −1 aqueous solutions of trisodium citrate at T = (288.15, 298.15, 308.15 and 318.15) K have been measured. The different parameters such as apparent molar volume, limiting apparent molar volume, transfer volume, have been derived from density data. Experimental values of the speed of sound were used to estimate apparent molar apparent molar isentropic compression, limiting apparent molar isentropic compression, and transfer parameter. The pair and triplet interaction coefficient have been calculated from transfer parameters

  5. 不同温度下α-氨基酸在咖啡碱水溶液中的体积、粘度及折光率特性%Volumetric, Viscometric and Refractive Index Behaviors of α-Amino Acids in Aqueous Caffeine Solution at Varying Temperatures

    Institute of Scientific and Technical Information of China (English)

    Anwar Ali; S.Sabir; M.Tariq

    2007-01-01

    Measurements of density(ρ), viscosity(η), and refractive index(n), were carried out on α-amino acids, DL-solution at 298.15, 303.15, 308.15, and 313.15 K. These measurements have been carried out to evaluate some important parameters, viz., apparent molar volume (φv), partial molar volume (φv0), transfer volume (φ0v (tr)), viscosity A and B coefficients of Jones-Dole equation, free energies of activation per mole of solvent (△μ0#1) and solute (△μ0#2),enthalpies (△H*) and entropies (△S*) of activation of viscous flow, variation of B with temperature ((a)B/(a)T)P, and molar refractive index (RD). These parameters have been interpreted in terms of solute-solute and solute-solvent interactions and structure making/breaking ability of solutes in the given solution.

  6. Effect of temperature and ionic strength on volumetric and acoustic properties of solutions of urea alkyl derivatives in aqueous NaCl

    International Nuclear Information System (INIS)

    Krakowiak, Joanna; Wawer, Jarosław

    2015-01-01

    Highlights: • Urea and its alkyl derivatives in aqueous NaCl solutions were studied. • The density and the speed of sound were measured for presented systems. • The strongest impact of NaCl on obtained quantities is noticed for apparent molar compression. • Bigger hydrophobic character of the solute results in bigger changes of calculated quantities with concentration. • The geometry of the solute is a crucial condition for hydrophobic hydration to happen. - Abstract: The present work was undertaken to study volumetric and acoustic properties for diluted solutions of tetramethylurea in pure water and for urea, n-propylurea, n-butylurea and tetramethylurea in 0.5 or 1 mol · dm −3 aqueous solutions of sodium chloride. This paper presents measured values of densities and sound velocities at T = (288.15, 298.15 and 308.15) K. From these data the apparent molar volumes, V Φ , adiabatic compressibilities, κ S , and apparent molar adiabatic compressions, K S,Φ , were obtained. The values of apparent molar volumes for infinite dilution and limited apparent adiabatic compressions were calculated from extrapolation of the concentration dependence. Further, the corresponding transfer data as well as hydration number of urea and its derivatives in the studied systems were estimated. The obtained parameters are discussed in terms of various solute-solvent and solute-cosolute interactions

  7. Mandibular molar root morphology in Neanderthals and Late Pleistocene and recent Homo sapiens.

    Science.gov (United States)

    Kupczik, Kornelius; Hublin, Jean-Jacques

    2010-11-01

    Neanderthals have a distinctive suite of dental features, including large anterior crown and root dimensions and molars with enlarged pulp cavities. Yet, there is little known about variation in molar root morphology in Neanderthals and other recent and fossil members of Homo. Here, we provide the first comprehensive metric analysis of permanent mandibular molar root morphology in Middle and Late Pleistocene Homo neanderthalensis, and Late Pleistocene (Aterian) and recent Homo sapiens. We specifically address the question of whether root form can be used to distinguish between these groups and assess whether any variation in root form can be related to differences in tooth function. We apply a microtomographic imaging approach to visualise and quantify the external and internal dental morphologies of both isolated molars and molars embedded in the mandible (n=127). Univariate and multivariate analyses reveal both similarities (root length and pulp volume) and differences (occurrence of pyramidal roots and dental tissue volume proportion) in molar root morphology among penecontemporaneous Neanderthals and Aterian H. sapiens. In contrast, the molars of recent H. sapiens are markedly smaller than both Pleistocene H. sapiens and Neanderthals, but share with the former the dentine volume reduction and a smaller root-to-crown volume compared with Neanderthals. Furthermore, we found the first molar to have the largest average root surface area in recent H. sapiens and Neanderthals, although in the latter the difference between M(1) and M(2) is small. In contrast, Aterian H. sapiens root surface areas peak at M(2). Since root surface area is linked to masticatory function, this suggests a distinct occlusal loading regime in Neanderthals compared with both recent and Pleistocene H. sapiens. Copyright © 2010 Elsevier Ltd. All rights reserved.

  8. Volumetric and viscometric studies of amino acids in L-ascorbic acid aqueous solutions at T = (293.15 to 323.15) K

    International Nuclear Information System (INIS)

    Jiang, Xiaofeng; Zhu, Chunying; Ma, Youguang

    2014-01-01

    Graphical abstract: The densities and viscosities of L-alanine in L-ascorbic acid aqueous solutions at T = 293.15 K. Highlights: • Densities and viscosities of five amino acids in L-ascorbic acid aqueous solutions were measured. • Based on the experimental data, a series of volumetric and viscometric parameters were calculated. • The group additivity analysis has been applied to analyze the V φ 0 and B-coefficients. -- Abstract: Densities and viscosities of glycine, L-alanine, L-valine, L-threonine and L-arginine in aqueous solutions of (0.0, 0.1, 0.2, 0.3 and 0.4) mol · kg −1 L-ascorbic acid have been measured at T = (293.15, 303.15, 313.15 and 323.15) K under atmospheric pressure. The apparent molar volumes (V φ ), limiting partial molar volumes (V φ 0 ), limiting partial molar volumes of transfer (Δ tr V φ 0 ) and limiting partial molar expansibilities (E 2 0 ) were computed by densities. The extended Jones–Dole equation was used to correlate the viscosities in order to obtain viscosity B-coefficients and the free energies of activation per mole of solvent (Δμ 1 0≠ ) and solute (Δμ 2 0≠ ) were also calculated. The contributions of zwitterionic end group (NH 3 + , COO − ), CH 2 group, OH group and CNHNHNH 2 group to V φ 0 and viscosity B-coefficients were obtained through the group additivity analysis

  9. Controlled, Rapid Uprighting of Molars: A surprisingly Simple Solution The Pivot Arm Appliance.

    Science.gov (United States)

    Warise, Timothy R; Galella, Steve A

    2015-01-01

    In orthodontic cases where the regional anatomy provides limited room for eruption, there is etiologically a higher occurrence of tipped/impacted second molars. Although second molar extraction with third molar replacement is a useful option, the "Pivot Arm Appliance" encourages the uprighting of the second molar as a preferred treatment. The most unique and important attribute of the "Pivot Arm Appliance" is the rotating tube. In cases of access limitation, the disto-occlusal surface of the molar presents as one area that is accessible. Other features of the "Pivot Arm Appliance" include: The position of the rotator tube delivers optimal rotational force through the pivoting action of the tube/arm complex. The "Pivot Arm Appliance" takes advantage of the efficiency and simplicity of a Class I lever system. The anatomical fulcrum being the dense cortical bone located anterior to the ascending ramus. The vertical spring system is compact, reliable and delivers gentle controlled force in rotational direction. The lingual location of the "Pivot Arm Appliance" does not hinder the function of the tongue, impinge on the soft tissue or interfere with normal masticatory function. The ease of placement of the rotator tube and subsequent insertion of the spring. It is well to note the uprighting appliance provides a very useful and practical approach to the unique problem of severely tipped second molars with limited buccal access. The "Pivot Arm Appliance" does not function only in these situations but can be used in all cases of second molar uprighting of a moderate to severe nature.

  10. Thermodynamics of proton dissociations from aqueous glycine at temperatures from 278.15 to 393.15 K, molalities from 0 to 1.0 mol . kg-1, and at the pressure 0.35 MPa: Apparent molar heat capacities and apparent molar volumes of glycine, glycinium chloride, and sodium glycinate

    International Nuclear Information System (INIS)

    Ziemer, S.P.; Niederhauser, T.L.; Merkley, E.D.; Price, J.L.; Sorenson, E.C.; McRae, B.R.; Patterson, B.A.; Origlia-Luster, M.L.; Woolley, E.M.

    2006-01-01

    We have measured the densities of aqueous solutions of glycine, glycine plus equimolal HCl, and glycine plus equimolal NaOH at temperatures 278.15 ≤ T/K ≤ 368.15, molalities 0.01 ≤ m/mol . kg -1 ≤ 1.0, and at p = 0.35 MPa, using a vibrating tube densimeter. We have also measured the heat capacities of these solutions at 278.15 ≤ T/K ≤ 393.15 and at the same m and p using a fixed-cell differential scanning calorimeter. We used the densities to calculate apparent molar volumes V φ and the heat capacities to calculate apparent molar heat capacities C p,φ for these solutions. We used our results and values of V φ (T, m) and C p,φ (T, m) for HCl(aq), NaOH(aq), NaCl(aq) from the literature to calculate parameters for Δ r C p,m (T, m) for the first and second proton dissociations from protonated aqueous cationic glycine. We then integrated this value of Δ r C p,m (T, m) in an iterative algorithm, using Young's Rule to account for the effects of speciation and chemical relaxation on the observed V φ and C p,φ of the solutions. This procedure yielded parameters for V φ (T, m) and C p,φ (T, m) for glycinium chloride {H 2 Gly + Cl - (aq)} and sodium glycinate {Na + Gly - (aq)} which successfully modeled our observed results. We have then calculated values of Δ r C p,m , Δ r H m , Δ r V m , and pQ a for the first and second proton dissociations from protonated aqueous glycine as functions of T and m

  11. Densities of L-Glutamic Acid HCl Drug in Aqueous NaCl and KCl Solutions at Different Temperatures

    Science.gov (United States)

    Ryshetti, Suresh; Raghuram, Noothi; Rani, Emmadi Jayanthi; Tangeda, Savitha Jyostna

    2016-04-01

    Densities (ρ ) of (0.01 to 0.07) {mol}{\\cdot } {kg}^{-1} L-Glutamic acid HCl (L-HCl) drug in water, and in aqueous NaCl and KCl (0.5 and 1.0) {mol}{\\cdot } {kg}^{-1} solutions have been reported as a function of temperature at T = (298.15, 303.15, 308.15, and 313.15) K and atmospheric pressure. The accurate density (ρ ) values are used to estimate the various parameters such as the apparent molar volume (V_{2,{\\upphi }}), the partial molar volume (V2^{∞}), the isobaric thermal expansion coefficient (α 2), the partial molar expansion (E2^{∞}), and Hepler's constant (partial 2V2^{∞}/partial T2)P. The Cosphere overlap model is used to understand the solute-solvent interactions in a ternary mixture (L-HCl drug + NaCl or KCl + water). Hepler's constant (partial 2V2^{∞}/partial T2)_P is utilized to interpret the structure-making or -breaking ability of L-HCl drug in aqueous NaCl and KCl solutions, and the results are inferred that L-HCl drug acts as a structure maker, i.e., kosmotrope in aqueous NaCl solutions and performs as a structure breaker, i.e., chaotrope in aqueous KCl solutions.

  12. 308.15 K、313.15 K和318.15K下4-氨基丁酸在硫酸沙丁胺醇水溶液中的体积和黏度研究%Volumetric and Viscometric Studies of 4-Aminobutyric Acid in Aqueous Solutions of Salbutamol Sulphate at 308.15,313.15 and 318.15 K

    Institute of Scientific and Technical Information of China (English)

    K. Rajagopal; S.S. Jayabalakrishnan

    2009-01-01

    Density (ρ) and viscosity (η) measurements were carried out for 4-aminobutyric acid in 0.0041, 0.0125 and 0.0207 mol·L~(-1) aqueous salbutamol sulphate at T= 308.15, 313.15 and 318.15 K.. The measured values of density and viscosity were used to estimate some important parameters such as apparent molar volume V_φ, limiting apparent molar volume V_φ~0, transfer volume ΔV_φ~0, hydration number nH , second derivative of infinite dilution of partial molar volume with temperature (e)~2V_φ~0 /(e)T~2 , viscosity B-coefficients, variation of B with temperature dB/dT, free energy of activation per mole of solvent Δμ_1~(0*) and solute Δμ_2~(0*), activation entropy ΔS_2~(0*) and activation enthalpy ΔH_2~(0*) of the amino acids. These parameters have been interpreted in terms of solute-solute and solute-solvent interactions and structure making/breaking ability of solutes in the given solution.

  13. Excess Molar Volumes and Viscosities for Binary Mixtures of 1-Alkoxypropan-2-ols with 1-Butanol,and 2-Butanol at 298.15 K and Atmospheric Pressure

    Institute of Scientific and Technical Information of China (English)

    PAL Amalendu; GABA Rekha

    2007-01-01

    Excess molar volumes VEm and kinematic viscosities v have been measured as a function of composition for binary mixtures of propylene glycol monomethyl ether (1-methoxy-2-propanol),MeOCH2CH(OH)Me,propylene glycol monoethyl ether (1-ethoxy-2-propanol), EtOCH2CH(OH)Me,propylene glycol monopropyl ether (1-propoxy-2-propanol), PrOCH2CH(OH)Me, propylene glycol monobutyl ether (1-butoxy-2-propanol),BuOCH2CH(OH)Me,and propylene glycol tert-butyl ether (1-tert-butoxy-2-propanol),t-BuOCH2CH(OH)Me with 1-butanol,and 2-butanol,at 298.15 K and atmospheric pressure.The excess molar volumes are negative across the entire range of composition for all the systems with 1-butanol,and positive for the systems 2-butanol+1-methoxy-2-propanol,and +1-propoxy-2-propanol,negative for the systems 2-butanol+1-butoxy-2-propanol,and change sign for the systems 2-butanol+1-ethoxy-2-propanol,and +1-tert-butoxy-2-propanol.From the experimental data,the deviation in dynamic viscosity η from Σxiηi has been calculated.Both excess molar volumes and viscosity deviations have been correlated using a Redlich-Kister type polynomial equation by the method of least-squares for the estimation of the binary coefficients and the standard errors.

  14. Calculation of the capnographic index based on expiratory molar mass-volume-curves--a suitable tool to screen for cystic fibrosis lung disease.

    Science.gov (United States)

    Fuchs, Susanne I; Junge, Sibylle; Ellemunter, Helmut; Ballmann, Manfred; Gappa, Monika

    2013-05-01

    Volumetric capnography reflecting the course of CO2-exhalation is used to assess ventilation inhomogeneity. Calculation of the slope of expiratory phase 3 and the capnographic index (KPIv) from expirograms allows quantification of extent and severity of small airway impairment. However, technical limitations have hampered more widespread use of this technique. Using expiratory molar mass-volume-curves sampled with a handheld ultrasonic flow sensor during tidal breathing is a novel approach to extract similar information from expirograms in a simpler manner possibly qualifying as a screening tool for clinical routine. The aim of the present study was to evaluate calculation of the KPIv based on molar mass-volume-curves sampled with an ultrasonic flow sensor in patients with CF and controls by assessing feasibility, reproducibility and comparability with the Lung Clearance Index (LCI) derived from multiple breath washout (MBW) used as the reference method. Measurements were performed in patients with CF and healthy controls during a single test occasion using the EasyOne Pro, MBW Module (ndd Medical Technologies, Switzerland). Capnography and MBW were performed in 87/96 patients with CF and 38/42 controls, with a success rate of 90.6% for capnography. Mean age (range) was 12.1 (4-25) years. Mean (SD) KPIv was 6.94 (3.08) in CF and 5.10 (2.06) in controls (p=0.001). Mean LCI (SD) was 8.0 (1.4) in CF and 6.2 (0.4) in controls (p=molar mass-volume-curves is feasible. KPIv is significantly different between patients with CF and controls and correlates with the LCI. However, individual data revealed a relevant overlap between patients and controls requiring further evaluation, before this method can be recommended for clinical use. Copyright © 2012 European Cystic Fibrosis Society. Published by Elsevier B.V. All rights reserved.

  15. Fast Computation of Solvation Free Energies with Molecular Density Functional Theory: Thermodynamic-Ensemble Partial Molar Volume Corrections.

    Science.gov (United States)

    Sergiievskyi, Volodymyr P; Jeanmairet, Guillaume; Levesque, Maximilien; Borgis, Daniel

    2014-06-05

    Molecular density functional theory (MDFT) offers an efficient implicit-solvent method to estimate molecule solvation free-energies, whereas conserving a fully molecular representation of the solvent. Even within a second-order approximation for the free-energy functional, the so-called homogeneous reference fluid approximation, we show that the hydration free-energies computed for a data set of 500 organic compounds are of similar quality as those obtained from molecular dynamics free-energy perturbation simulations, with a computer cost reduced by 2-3 orders of magnitude. This requires to introduce the proper partial volume correction to transform the results from the grand canonical to the isobaric-isotherm ensemble that is pertinent to experiments. We show that this correction can be extended to 3D-RISM calculations, giving a sound theoretical justification to empirical partial molar volume corrections that have been proposed recently.

  16. Excess molar volume, viscosity, and refractive index study for the ternary mixture {2-methyl-2-butanol (1) + tetrahydrofuran (2) + propylamine (3)} at different temperatures. Application of the ERAS-model and Peng-Robinson-Stryjek-Vera equation of state

    International Nuclear Information System (INIS)

    Fattahi, M.; Iloukhani, H.

    2010-01-01

    Densities, viscosities, and refractive indices of the ternary mixture consist of {2-methyl-2-butanol (1) + tetrahydrofuran (THF) (2) + propylamine (3)} at a temperature of 298.15 K and related binary mixtures were measured at temperatures of (288.15, 298.15, and 308.15) K at ambient pressure. Data were used to calculate the excess molar volumes and the deviations of the viscosity and refractive index. The Redlich-Kister and the Cibulka equations were used for correlating binary and ternary properties, respectively. The ERAS-model has been applied for describing the binary and ternary excess molar volumes and also Peng-Robinson-Stryjek-Vera (PRSV) equation of state (EOS) has been used to predict the binary and ternary excess molar volumes and viscosities.

  17. Molar extinction coefficients of solutions of some organic compounds

    Indian Academy of Sciences (India)

    efficients of these compounds have been used to calculate effective atomic numbers and electron densities. The additivity ... Molar extinction coefficients; effective atomic numbers; electron density. PACS Nos 29.30. ... the radiation path and is linearly dependent on the concentration of the absorbing species. This is most ...

  18. Thermodynamic study on some alkanediol solutions: Measurement and modeling

    International Nuclear Information System (INIS)

    Moosavi, Mehrdad; Motahari, Ahmad; Omrani, Abdollah; Rostami, Abbas Ali

    2013-01-01

    Highlights: • Measuring densities and viscosities for binary mixtures of some alkanediols. • Finding excess molar volume, partial molar volume and thermal expansion coefficient. • Fitting excess molar volume values with PFP and Redlich–Kister polynomial equations. • Deducing excess Gibbs free energy of activation and other thermodynamic parameters. • Predicting viscosity values with different single parameter semi empirical equations. - Abstract: The densities ρ and viscosities η of 1,2-ethanediol with 1,2-propanediol or 1,3-propanediol, and 1,2-propanediol with 1,3-propanediol binary liquid mixtures over the entire concentration range at temperatures (298.15 to 308.15) K with 5 K interval were measured. The experimental data were used to calculate the excess molar volume V m E , partial molar volume V ¯ m,i , partial molar volume at infinite dilution V ¯ i ∞ , apparent molar volume V φi , coefficient of thermal expansion α p , excess coefficient of thermal expansion α p E , excess viscosity η E , excess Gibbs energy of activation ΔG *E , and other thermodynamic parameters. A Redlich–Kister equation and Prigogine–Flory–Patterson (PFP) model was applied to correlate the excess molar volume results. Moreover, the viscosity data were correlated with the Grunberg–Nissan, Tamura–Kurata, Hind–Ubbelohde and Katti–Chaudhary equations. Good agreement was found between experimental data and modeling results

  19. Effect of ionic liquid on the solvation behavior of nonaqueous N,N′-salicylidenephenylediamine Schiff base (Salophen) solutions at 298.15 K

    International Nuclear Information System (INIS)

    Shekaari, Hemayat; Elhami-Kalvanagh, Rasoul; Bezaatpour, Abolfazl

    2013-01-01

    Highlights: • Salophen schiff base and ionic liquid, [BMIm]Br were synthesized. • Thermodynamic properties of Salophen + [BMIm]Br + organic solvents were measured. • The calculated parameters were used to interpretation of the solute–solvent interactions. • The results show that the predominant interactions are nonpolar–nonpolar interactions. • Solubility of Salophen increase with increasing of [BMIm]Br concentrations. -- Abstract: Thermodynamic properties of N,N′-salicylidenephenylediamine Schiff base (Salophen) in the solutions of ionic liquid, 1-butyl-3-methylimidazolium bromide ([BMIm]Br) + organic solvents (N,N-dimethylacetamide DMA, and dimethylsulfoxide DMSO) have been measured at 298.15 K. The measured density and viscosity values have been used to calculate apparent molar volumes, V ϕ , standard partial molar volumes, V ϕ 0 , standard partial molar volumes of transfer, Δ tr V ϕ 0 , viscosity B-coefficients, and solvation numbers, B/V ϕ 0 , for the solutions being studied. All of these parameters were used to interpret the solute–solvent interactions and solvation process occurring between ionic liquid and Salophen

  20. Thermodynamic properties of ethanol solution of chiral camphors and its derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Kimura, Takayoshi [Department of Chemistry, Kinki University, Kowakae, Higashi-Osaka 577-8502 (Japan)], E-mail: kimura@chem.kindai.ac.jp; Iwama, Sekai; Kido, Satoko; Khan, Mohammad Abdullah [Department of Chemistry, Kinki University, Kowakae, Higashi-Osaka 577-8502 (Japan)

    2009-10-15

    Enthalpies of mixing and the densities of ethanol solution of R- and S-enantiomers of camphor, 10-camphorsulfonamide, 10-camphorsulfonic acid, camphorquinone, and 10-camphorsulfonyl chloride have been measured for a wide range of mole fractions of heterochiral components at 298.15 K. Enthalpies of mixing were exothermic for all concentrations and heterochiral solutions were more stable than each of the homochiral solutions. Enthalpic stabilization of mixing of heterochiral solutions was increased with a decreasing concentration of all the camphor derivatives measured. The sequence of enthalpic stabilization on mixing was 10-camphorsulfonyl chloride, 10-camphorsulfonic acid, 10-camphorsulfonamide, camphor, and camphorquinone. Apparent molar volumes were determined and excess volumes of mixing of heterochiral solutions were small and negative. Enthalpic stabilizations were found to be dependent on dipole-dipole interaction between solutes and solvents.

  1. Relation between heat of vaporization, ion transport, molar volume, and cation-anion binding energy for ionic liquids.

    Science.gov (United States)

    Borodin, Oleg

    2009-09-10

    A number of correlations between heat of vaporization (H(vap)), cation-anion binding energy (E(+/-)), molar volume (V(m)), self-diffusion coefficient (D), and ionic conductivity for 29 ionic liquids have been investigated using molecular dynamics (MD) simulations that employed accurate and validated many-body polarizable force fields. A significant correlation between D and H(vap) has been found, while the best correlation was found for -log(DV(m)) vs H(vap) + 0.28E(+/-). A combination of enthalpy of vaporization and a fraction of the cation-anion binding energy was suggested as a measure of the effective cohesive energy for ionic liquids. A deviation of some ILs from the reported master curve is explained based upon ion packing and proposed diffusion pathways. No general correlations were found between the ion diffusion coefficient and molecular volume or the diffusion coefficient and cation/anion binding energy.

  2. Excess Molar Volumes of (Octane + 1-Chlorobutane) at Temperatures between 298.15 K and 328.15 K and at Pressures up to 40 MPa

    Czech Academy of Sciences Publication Activity Database

    Morávková, Lenka; Linek, Jan

    2003-01-01

    Roč. 35, č. 1 (2003), s. 113-121 ISSN 0021-9614 R&D Projects: GA ČR GA203/00/0600 Institutional research plan: CEZ:AV0Z4072921 Keywords : densities * excess molar volumes * mixtures Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.986, year: 2003

  3. Deciduous molar hypomineralization and molar incisor hypomineralization

    NARCIS (Netherlands)

    Elfrink, M.E.C.; ten Cate, J.M.; Jaddoe, V.W.V.; Hofman, A.; Moll, H.A.; Veerkamp, J.S.J.

    2012-01-01

    This study was embedded in the Generation R Study, a population-based prospective cohort study from fetal life until young adulthood. This study focused on the relationship between Deciduous Molar Hypomineralization (DMH) and Molar Incisor Hypomineralization (MIH). First permanent molars develop

  4. Thermodynamic study on some alkanediol solutions: Measurement and modeling

    Energy Technology Data Exchange (ETDEWEB)

    Moosavi, Mehrdad; Motahari, Ahmad; Omrani, Abdollah, E-mail: omrani@umz.ac.ir; Rostami, Abbas Ali

    2013-06-10

    Highlights: • Measuring densities and viscosities for binary mixtures of some alkanediols. • Finding excess molar volume, partial molar volume and thermal expansion coefficient. • Fitting excess molar volume values with PFP and Redlich–Kister polynomial equations. • Deducing excess Gibbs free energy of activation and other thermodynamic parameters. • Predicting viscosity values with different single parameter semi empirical equations. - Abstract: The densities ρ and viscosities η of 1,2-ethanediol with 1,2-propanediol or 1,3-propanediol, and 1,2-propanediol with 1,3-propanediol binary liquid mixtures over the entire concentration range at temperatures (298.15 to 308.15) K with 5 K interval were measured. The experimental data were used to calculate the excess molar volume V{sub m}{sup E}, partial molar volume V{sup ¯}{sub m,i}, partial molar volume at infinite dilution V{sup ¯}{sub i}{sup ∞}, apparent molar volume V{sub φi}, coefficient of thermal expansion α{sub p}, excess coefficient of thermal expansion α{sub p}{sup E}, excess viscosity η{sup E}, excess Gibbs energy of activation ΔG{sup *E}, and other thermodynamic parameters. A Redlich–Kister equation and Prigogine–Flory–Patterson (PFP) model was applied to correlate the excess molar volume results. Moreover, the viscosity data were correlated with the Grunberg–Nissan, Tamura–Kurata, Hind–Ubbelohde and Katti–Chaudhary equations. Good agreement was found between experimental data and modeling results.

  5. Effect of alkyl chain length and temperature on the thermodynamic properties of ionic liquids 1-alkyl-3-methylimidazolium bromide in aqueous and non-aqueous solutions at different temperatures

    International Nuclear Information System (INIS)

    Sadeghi, Rahmat; Shekaari, Hemayat; Hosseini, Rahim

    2009-01-01

    The alkyl chain length of 1-alkyl-3-methylimidazolium bromide ([Rmim][Br], R = propyl (C 3 ), hexyl (C 6 ), heptyl (C 7 ), and octyl (C 8 )) was varied to prepare a series of room-temperature ionic liquids (RTILs), and experimental measurements of density and speed of sound at different temperatures ranging from (288.15 to 308.15) K for their aqueous and methanolic solutions in the dilute concentration region (0.01 to 0.30) mol . kg -1 were taken. The values of the compressibilities, expansivity and apparent molar properties for [C n mim][Br] in aqueous and methanolic solutions were determined at the investigated temperatures. The obtained apparent molar volumes and apparent molar isentropic compressibilities were fitted to the Redlich-Mayer and the Pitzer's equations from which the corresponding infinite dilution molar properties were obtained. The values of the infinite dilution molar properties were used to obtain some information about solute-solvent and solute-solute interactions. The thermodynamic properties of investigated ionic liquids in aqueous solutions have been compared with those in methanolic solutions. Also, the comparison between thermodynamic properties of investigated solutions and those of electrolyte solutions, polymer solutions, cationic surfactant solutions and tetraalkylammonium salt solutions have been made

  6. Effect of alkyl chain length and temperature on the thermodynamic properties of ionic liquids 1-alkyl-3-methylimidazolium bromide in aqueous and non-aqueous solutions at different temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Sadeghi, Rahmat [Department of Chemistry, University of Kurdistan, Sanandaj (Iran, Islamic Republic of)], E-mail: rahsadeghi@yahoo.com; Shekaari, Hemayat [Department of Chemistry, Faculty of Science, University of Mohaghegh Ardabili, Ardabil (Iran, Islamic Republic of); Hosseini, Rahim [Department of Chemistry, University of Kurdistan, Sanandaj (Iran, Islamic Republic of)

    2009-02-15

    The alkyl chain length of 1-alkyl-3-methylimidazolium bromide ([Rmim][Br], R = propyl (C{sub 3}), hexyl (C{sub 6}), heptyl (C{sub 7}), and octyl (C{sub 8})) was varied to prepare a series of room-temperature ionic liquids (RTILs), and experimental measurements of density and speed of sound at different temperatures ranging from (288.15 to 308.15) K for their aqueous and methanolic solutions in the dilute concentration region (0.01 to 0.30) mol . kg{sup -1} were taken. The values of the compressibilities, expansivity and apparent molar properties for [C{sub n}mim][Br] in aqueous and methanolic solutions were determined at the investigated temperatures. The obtained apparent molar volumes and apparent molar isentropic compressibilities were fitted to the Redlich-Mayer and the Pitzer's equations from which the corresponding infinite dilution molar properties were obtained. The values of the infinite dilution molar properties were used to obtain some information about solute-solvent and solute-solute interactions. The thermodynamic properties of investigated ionic liquids in aqueous solutions have been compared with those in methanolic solutions. Also, the comparison between thermodynamic properties of investigated solutions and those of electrolyte solutions, polymer solutions, cationic surfactant solutions and tetraalkylammonium salt solutions have been made.

  7. Effects of solubilization of short and medium-chain molecules in the self-assembly of two amphiphilic drugs in solution

    International Nuclear Information System (INIS)

    Barbosa, Silvia; Cheema, Mohammad Arif; Siddiq, Mohammad; Taboada, Pablo; Mosquera, Victor

    2009-01-01

    The effect of short and medium chain length alcohols ethanol, propanol, and butanol on the thermodynamic properties of aqueous solutions of the ionic amphiphilic antidepressants imipramine and clomipramine hydrochlorides has been investigated at T = 293 K. Critical concentrations of the drugs were obtained from ultrasound velocity measurements. Experimental results have shown a strong dependence of the ultrasound velocity with the alcohol concentration and chain length. Differences in the aggregate properties of both amphiphiles arise from the presence of the extra Cl - substituent on the ring system of clomipramine. Density and ultrasound measurements have been used to obtain the apparent molar volumes, V φ , and isentropic apparent molar compressibilities, K φ(S) , for the aqueous drug/water-alcohol solutions. The distribution coefficient of the amount solubilized between water and the aggregates, K, has been determined using an indirect method based on the pseudo-phase model by using apparent molar volume values. This method allows the calculation of the distribution coefficients at concentrations below saturation. The standard molar Gibbs free energy change on transfer from the aqueous to the micellar, ΔG 0 , phase was calculated from the partition coefficient. The results have highlighted the structural differences between both amphiphiles

  8. Influence of H/D isotope substitution on physicochemical properties of aqueous solutions of urea and thiourea

    International Nuclear Information System (INIS)

    Jelinska-Kazimierczuk, M.; Szydlowski, J.

    2001-01-01

    The influence of the H/D isotope substitution on excess volumes, partial molar volumes, viscosity and ultrasound speed in aqueous solutions of urea and thiourea are studied at 20 o C. The excess volume of the solutions studied is relatively small - however, it is negative in urea and positive in thiourea solutions. On the other hand, the deuteration affects the excess volume in both solutions in the same way: deuterated systems show smaller deviation from additivity than regular ones. The speed of sound in the systems studied increases monotonously with concentration , but its isotope effect decreases as the concentration increases. The curves of viscosity are monotonous too, but isotope effect of kinematic viscosity is practically the same in the whole concentration range studied. The present results for urea and thiourea aqueous solutions are compared with those previously obtained for amide- water systems. (author)

  9. Effect of temperature on solvation behaviour of diclofenac sodium salt in aqueous glycine and L-proline solutions

    International Nuclear Information System (INIS)

    Ryshetti, Suresh; Gardas, Ramesh L; Tangeda, Savitha Jyostna

    2015-01-01

    Highlights: • Solvation behaviour of diclofenac drug studied in aqueous solutions. • Density and speed of sound of drug in aq. glycine and L-proline are measured. • Hydrophobic nature of diclofenac sodium salt is studied. • Effect of temperature on solvation of diclofenac sodium salt is analysed. - Abstract: Apparent molar volume (V 2,ϕ ) and apparent molar isentropic compressibility (K s,2,ϕ ) of diclofenac sodium salt (DSS) drug within the concentration range of (0.001 to 0.008) mol · kg −1 in (0.01, 0.03 and 0.05) mol · kg −1 aqueous glycine and L-proline solutions are computed from the experimental density (ρ) and speed of sound (u) values at T = (293.15 to 313.15) K and atmospheric pressure. Derived parameters such as partial molar properties, transfer partial molar properties, hydration numbers and Hepler’s constant are computed from the data of V 2,ϕ and K s,2,ϕ . These parameters have been used to understand the effect of temperature on interactions between DSS drug and aqueous glycine/L-proline solution. Furthermore, the structure making and breaking ability of DSS drug in probed solutions are analysed at experimental conditions

  10. Thermophysical properties of ionic liquid, 1-hexyl-3-methylimidazolum bromide + N-N′bis(2-pyridylmethylidene)-1,2-diiminoethane (BPIE) Schiff base + N,N-dimethylformamide solutions

    International Nuclear Information System (INIS)

    Shekaari, Hemayat; Bezaatpour, Abolfazl; Khoshalhan, Maryam

    2012-01-01

    Highlights: ► Thermodynamic properties of ionic liquids + BPIE Schiff base + DMF were studied. ► There are preferential interactions between ionic liquid and BPIE molecules. ► The nonpolar–nonpolar interactions are dominant interactions between BPIE and ionic liquid. - Abstract: Effect of N-N′bis(2-pyridylmethylidene)-1,2-diiminoethane (BPIE) Schiff base on thermodynamic properties of ionic liquid, 1-hexyl-3-methylimidazolium bromide ([HMIm]Br) in N,N-dimethylformamide (DMF) solutions were determined at T = 298.15–313.15 K. The standard partial molar volumes, V φ 0 , partial molar volumes of transfer, Δ tr V φ 0 have been calculated using the measured density data. The cosphere overlap model was used to interpretate the partial molar volumes of transfer, Δ tr V φ 0 . The calculated Hepler's constants, ∂ 2 V φ 0 /∂ 2 T, indicate that the BPIE and ionic liquid have structure-breaking (chaotropic) tendency. Ion association constants, K a , and limiting molar conductivities, Λ 0 , viscosity B-coefficients and molar refractions, R D , have been used to confirm the conclusions obtained from the volumetric properties. The results were interpreted in terms of various solute–solvent interactions occuring in the investigated solutions and indicating an enhancement in the nonpolar–nonpolar interactions between the BPIE Schiff base and the ionic liquid with increasing BPIE concentration.

  11. Double versus single cartridge of 4% articaine infiltration into the retro-molar area for lower third molar surgery.

    Science.gov (United States)

    Sawang, Kamonpun; Chaiyasamut, Teeranut; Kiattavornchareon, Sirichai; Pairuchvej, Verasak; Bhattarai, Bishwa Prakash; Wongsirichat, Natthamet

    2017-06-01

    There are no studies regarding 4% articaine infiltration injection into the retro-molar area for an impacted lower third molar (LITM) surgery. This study aimed to evaluate the efficacy of infiltration using 1.7 ml (single cartridge: SC) of 4% articaine versus 3.4 ml (double cartridges: DC) of 4% articaine with 1:100,000 epinephrine in LITM surgery. This study involved 30 healthy patients with symmetrical LITM. The patients were assigned to receive either a DC or SC of 4% articaine with 1:100,000 epinephrine as a local anesthetic for each operation. Onset, duration, profoundness, need for additional anesthetic administration, total volume of anesthetic used, vitality of the tooth, and pain score during operation were recorded. The DC of 4 % articaine had a significantly higher success rate (83.3%) than did the SC (53.3%; P molar region can be an alternative anesthetic for LITM surgery.

  12. Efficiency of Intraligamentary Anesthesia of Inferior Molars for Endodontic Treatment

    Directory of Open Access Journals (Sweden)

    Peycheva K.

    2014-12-01

    Full Text Available The periodontal ligament injection appears to be the most consistently reliable in achieving clinically adequate pulpal anaesthesia. Materials and Methods: 130 inferior molar teeth; technique: The tooth was first cleaned with chlorhexidine 0.2% solution. The penetration of the ligament is performed with special intraligamentary needle (30 G - 9, 17,21 mm “sliding” along the side of the tooth, 300º angle between the needle and the tooth, having taken the care of determining support points which will prevent the needle from twisting. The penetration must be deep enough to obtain the seal required for the injection, injection for each root in particular points; volume of solution per root is 0.2-0.4 ml. Results: In 125 cases the technique was absolutely efficient. In only 5 cases with pulpitis chronica ulcerosa there was need for additional intrapulpal anesthesia. Conclusions: The method could be used as a primary anesthetic method for endodontic treatment.

  13. The contemporary management of third molars.

    Science.gov (United States)

    Hyam, D M

    2018-03-01

    The management of third molars requires a significant assessment and decision process both for the patient and the clinician. The clinician must always identify the indication for third molar surgery, assess the risks of the proposed procedure, and then modify their plan to account for the patient's current and future health, their social and financial setting, and the patient's tolerance of risk. In doing this, the clinician can tailor a solution to meet the individual patient's needs. This decision to remove a third molar is made in the fluid setting of the patient's quality of life and requires regular review. This article gives the clinician the tools, the matrix, and the confidence to guide patients through this process, and outlines some of the pitfalls and common points of bias within the process. © 2018 Australian Dental Association.

  14. Excess molar volume along with viscosity, refractive index and relative permittivity for binary mixtures of exo-tetrahydrodicyclopentadiene with four octane isomers

    International Nuclear Information System (INIS)

    Yue, Lei; Qin, Xiaomei; Wu, Xi; Xu, Li; Guo, Yongsheng; Fang, Wenjun

    2015-01-01

    Highlights: • Binary mixtures of JP-10 with octane isomers are studied as model hydrocarbon fuels. • Density, viscosity, refractive index and relative permittivity are determined. • Excess molar volumes and viscosity deviations are calculated and correlated. - Abstract: The fundamental physical properties including density, viscosity, refractive index and relative permittivity, have been measured for binary mixtures of exo-tetrahydrodicyclopentadiene (JP-10) with four octane isomers (n-octane, 3-methylheptane, 2,4-dimethylhexane and 2,2,4-trimethylpentane) over the whole composition range at temperatures T = (293.15 to 313.15) K and pressure p = 0.1 MPa. The values of excess molar volume (V m E ), viscosity deviation (Δη), refractive index deviation (Δn D ) and relative permittivity deviation (Δε r ) are then calculated. All of the values of V m E and Δη are observed to be negative, while those of Δn D and Δε r are close to zero. The effects of temperature and composition on the variation of V m E values are discussed. The negative values of V m E and Δη are conductive to high-density and low-resistance of fuels, which is favorable for the design and preparation of advanced hydrocarbon fuels

  15. Standard molar enthalpies of formation of sodium alkoxides

    International Nuclear Information System (INIS)

    Chandran, K.; Srinivasan, T.G.; Gopalan, A.; Ganesan, V.

    2007-01-01

    The molar enthalpies of solution of sodium in methanol, ethanol, and n-propanol and of sodium alkoxides in their corresponding alcohols were measured at T=298.15K using an isoperibol solution calorimeter. From these results and other auxiliary data, the standard molar enthalpies of formation, Δ f H m o (RONa,cr) of sodium methoxide, sodium ethoxide, and sodium n-propoxide were calculated and found to be {(-366.21+/-1.38) (-413.39+/-1.45), and (-441.57+/-1.18)}kJ.mol -1 , respectively. A linear correlation has been found between Δ f H m o (RONa)andΔ f H m o (ROH) for R=n-alkyl, enabling the prediction of data for other sodium alkoxides

  16. Effects of concentration, temperature and solvent composition on density and apparent molar volume of the binary mixtures of cationic-anionic surfactants in methanol-water mixed solvent media.

    Science.gov (United States)

    Bhattarai, Ajaya; Chatterjee, Sujeet Kumar; Niraula, Tulasi Prasad

    2013-01-01

    The accurate measurements on density of the binary mixtures of cetyltrimethylammonium bromide and sodium dodecyl sulphate in pure water and in methanol(1) + water (2) mixed solvent media containing (0.10, 0.20, and 0.30) volume fractions of methanol at 308.15, 318.15, and 323.15 K are reported. The concentrations are varied from (0.03 to 0.12) mol.l(-1) of sodium dodecyl sulphate in presence of ~ 5.0×10(-4) mol.l(-1) cetyltrimethylammonium bromide. The results showed almost increase in the densities with increasing surfactant mixture concentration, also the densities are found to decrease with increasing temperature over the entire concentration range, investigated in a given mixed solvent medium and these values are found to decrease with increasing methanol content in the solvent composition. The concentration dependence of the apparent molar volumes appear to be negligible over the entire concentration range, investigated in a given mixed solvent medium and the apparent molar volumes increase with increasing temperature and are found to decrease with increasing methanol content in the solvent composition.

  17. Vaporization study on vanadium-oxygen solid solution by mass spectrometric method

    International Nuclear Information System (INIS)

    Banchorndhevakul, W.; Matsui, Tsuneo; Naito, Keiji

    1986-01-01

    The vapor pressures over vanadium-oxygen solid solution (0.001 ≤ O/V ≤ 0.145) were measured by mass-spectrometric method in the temperature range of 1,855 ∼ 2,117 K. The main vapor species were observed to be V(g) and VO(g). The vapor pressure of V(g) is higher than that of VO(g) over the solid solutions with all O/V ratios except for O/V = 0.145. The vapor pressure of V(g) is nearly independent of O/V ratio. The vapor pressure of VO(g) decreases with decreasing O/V ratio. The oxygen partial pressure was calculated as a function of temperature and O/V ratio from the vapor pressures of V(g) and VO(g), from which the partial molar enthalpy and entropy of oxygen in the solid solution were determined. The partial molar enthalpy of oxygen was observed to be independent of composition, suggesting the presence of very weak interaction between interstitial oxygens. The compositional dependence of the partial molar entropy of oxygen can be explained by assuming the occupation of the octahedral site in bcc vanadium lattice by the interstitial oxygens. The excess partial molar entropy of oxygen was compared with the value derived from the sum of the contributions from the volume expansion, electronic heat capacity and vibrational terms. (author)

  18. Variation and decomposition of the partial molar volume of small gas molecules in different organic solvents derived from molecular dynamics simulations.

    Science.gov (United States)

    Klähn, Marco; Martin, Alistair; Cheong, Daniel W; Garland, Marc V

    2013-12-28

    The partial molar volumes, V(i), of the gas solutes H2, CO, and CO2, solvated in acetone, methanol, heptane, and diethylether are determined computationally in the limit of infinite dilution and standard conditions. Solutions are described with molecular dynamics simulations in combination with the OPLS-aa force field for solvents and customized force field for solutes. V(i) is determined with the direct method, while the composition of V(i) is studied with Kirkwood-Buff integrals (KBIs). Subsequently, the amount of unoccupied space and size of pre-formed cavities in pure solvents is determined. Additionally, the shape of individual solvent cages is analyzed. Calculated V(i) deviate only 3.4 cm(3) mol(-1) (7.1%) from experimental literature values. Experimental V(i) variations across solutions are reproduced qualitatively and also quantitatively in most cases. The KBI analysis identifies differences in solute induced solvent reorganization in the immediate vicinity of H2 (<0.7 nm) and solvent reorganization up to the third solvation shell of CO and CO2 (<1.6 nm) as the origin of V(i) variations. In all solutions, larger V(i) are found in solvents that exhibit weak internal interactions, low cohesive energy density and large compressibility. Weak internal interactions facilitate solvent displacement by thermal solute movement, which enhances the size of solvent cages and thus V(i). Additionally, attractive electrostatic interactions of CO2 and the solvents, which do not depend on internal solvent interactions only, partially reversed the V(i) trends observed in H2 and CO solutions where electrostatic interactions with the solvents are absent. More empty space and larger pre-formed cavities are found in solvents with weak internal interactions, however, no evidence is found that solutes in any considered solvent are accommodated in pre-formed cavities. Individual solvent cages are found to be elongated in the negative direction of solute movement. This wake behind

  19. Variation and decomposition of the partial molar volume of small gas molecules in different organic solvents derived from molecular dynamics simulations

    Science.gov (United States)

    Klähn, Marco; Martin, Alistair; Cheong, Daniel W.; Garland, Marc V.

    2013-12-01

    The partial molar volumes, bar V_i, of the gas solutes H2, CO, and CO2, solvated in acetone, methanol, heptane, and diethylether are determined computationally in the limit of infinite dilution and standard conditions. Solutions are described with molecular dynamics simulations in combination with the OPLS-aa force field for solvents and customized force field for solutes. bar V_i is determined with the direct method, while the composition of bar V_i is studied with Kirkwood-Buff integrals (KBIs). Subsequently, the amount of unoccupied space and size of pre-formed cavities in pure solvents is determined. Additionally, the shape of individual solvent cages is analyzed. Calculated bar V_i deviate only 3.4 cm3 mol-1 (7.1%) from experimental literature values. Experimental bar V_i variations across solutions are reproduced qualitatively and also quantitatively in most cases. The KBI analysis identifies differences in solute induced solvent reorganization in the immediate vicinity of H2 (<0.7 nm) and solvent reorganization up to the third solvation shell of CO and CO2 (<1.6 nm) as the origin of bar V_i variations. In all solutions, larger bar V_i are found in solvents that exhibit weak internal interactions, low cohesive energy density and large compressibility. Weak internal interactions facilitate solvent displacement by thermal solute movement, which enhances the size of solvent cages and thus bar V_i. Additionally, attractive electrostatic interactions of CO2 and the solvents, which do not depend on internal solvent interactions only, partially reversed the bar V_i trends observed in H2 and CO solutions where electrostatic interactions with the solvents are absent. More empty space and larger pre-formed cavities are found in solvents with weak internal interactions, however, no evidence is found that solutes in any considered solvent are accommodated in pre-formed cavities. Individual solvent cages are found to be elongated in the negative direction of solute

  20. Density and viscosity study of nicotinic acid and nicotinamide in dilute aqueous solutions at and around the temperature of the maximum density of water

    International Nuclear Information System (INIS)

    Dhondge, Sudhakar S.; Dahasahasra, Prachi N.; Paliwal, Lalitmohan J.; Deshmukh, Dinesh W.

    2014-01-01

    Highlights: • Volumetric and transport behaviour of aqueous solutions of important vitamins are reported. • Various interactions of nicotinic acid and nicotinamide with water have been reported. • The temperature dependence of interactions between solute and solvent is discussed. • The study indicates that nicotinamide is more hydrated as compared to nicotinic acid. - Abstract: In the present study, we report experimental densities (ρ) and viscosities (η) of aqueous solutions of nicotinic acid and nicotinamide within the concentration range (0 to 0.1) mol · kg −1 at T = (275.15, 277.15 and 279.15) K. These parameters are then used to obtain thermodynamic and transport functions such as apparent molar volume of solute (V ϕ ), limiting apparent molar volume of solute (V ϕ 0 ), limiting apparent molar expansivity of solute (E ϕ 0 ), coefficient of thermal expansion (α ∗ ), Jones–Dole equation viscosity A, B and D coefficients, temperature derivative of B coefficient i.e. (dB/dT) and hydration number (n H ), etc. The activation parameters of viscous flow for the binary mixtures have been determined and discussed in terms of Eyring’s transition state theory. These significant parameters are helpful to study the structure promoting or destroying tendency of solute and various interactions present in (nicotinic acid + water) and (nicotinamide + water) binary mixtures

  1. Influência da temperatura, da massa molar e da distribuição de massa molar na tensão superficial de PS, PP e PE: experimento e teoria

    Directory of Open Access Journals (Sweden)

    Moreira José C.

    2003-01-01

    Full Text Available Neste trabalho a influência da temperatura, da massa molar (n e da distribuição de massa molar (MWD na tensão superficial de poliestireno (PS foi avaliada utilizando o método da gota pendente. A influência da temperatura na tensão superficial de polipropileno isotático (i-PP e de polietileno de baixa densidade (PELBD também foi estudada aqui. As teorias de Patterson-Rastogi e Dee-Sauer foram utilizadas em conjunção com a teoria de equação de estado de Flory, Orwoll, e Vrij (FOV para prever a tensão superficial (gama utilizando dados de pressão-volume-temperatura (PVT dos polímeros. Ambas teorias prevêem que a tensão superficial diminui linearmente com o aumento da temperatura e aumenta com a massa molar concordando com os resultados experimentais. Entretanto, ambas teorias subestimam a mudança de entropia de formação de superfície por unidade de área a volume constante para sistemas poliméricos de baixa massa molar e polidisperso e subestimam o efeito da distribuição de massa molar na tensão superficial

  2. Density, speed of sound, viscosity and refractive index properties of aqueous solutions of vitamins B1.HCl and B6.HCl at temperatures (278.15, 288.15, and 298.15) K

    International Nuclear Information System (INIS)

    Dhondge, Sudhakar S.; Deshmukh, Dinesh W.; Paliwal, Lalitmohan J.

    2013-01-01

    Highlights: ► Study of aqueous solutions of vitamins B 1 .HCl and B 6 .HCl at different temperatures has been presented. ► These are important vitamins. ► Different interactions among solute and solvents have been investigated. ► The results are interpreted in terms of water structure making and breaking effects due to cations. -- Abstract: The experimental values of density (ρ), speed of sound (u), absolute viscosity (η) and refractive index (n D ) properties are reported for aqueous solutions of thiamine hydrochloride (vitamin B 1 .HCl) and pyridoxine hydrochloride (vitamin B 6 .HCl) within the concentration range (0.01 to 0.55) mol ⋅ kg −1 at three different temperatures, viz. T/K = 278.15, 288.15, and 298.15. Using experimental data, different derived parameters such as the apparent molar volume of solute (ϕ V ), isentropic compressibility of solution (β S ), apparent molar isentropic compressibility of solute (ϕ KS ) and relative viscosity of solution (η r ) have been computed. The limiting values of apparent molar volume (ϕ V 0 ) and apparent molar isentropic compressibility (ϕ KS 0 ) have been obtained. The limiting apparent molar expansivity (ϕ E 0 ) of solute, coefficient of thermal expansion (α ∗ ) and hydration numbers (n h ) of above vitamins in the aqueous medium have also been estimated. The experimental values of relative viscosity are used to calculate the Jones–Dole equation viscosity A and B coefficients for the hydrochlorides. The temperature coefficients of B i.e. (dB/dT) for these solutes have been used to study water structure making and breaking effects due to cations. Further, a discussion is made on the basis of solute–solute and solute–solvent interactions

  3. Ultrasonic velocities, densities, and excess molar volumes of binary mixtures of N,N-dimethyl formamide with methyl acrylate, or ethyl acrylate, or butyl acrylate, or 2-ethyl hexyl acrylate at T = 308.15 K

    Energy Technology Data Exchange (ETDEWEB)

    Kondaiah, M. [Department of Physics, Acharya Nagarjuna University, Nagarjuna Nagar 522510, Andhra Pradesh (India); Sravana Kumar, D. [Dr. V.S. Krishna Govt. Degree College, Visakhapatnam, Andhra Pradesh (India); Sreekanth, K. [Department of Physics, Acharya Nagarjuna University, Nagarjuna Nagar 522510, Andhra Pradesh (India); Krishna Rao, D., E-mail: krdhanekula@yahoo.co.in [Department of Physics, Acharya Nagarjuna University, Nagarjuna Nagar 522510, Andhra Pradesh (India)

    2011-12-15

    Highlights: > Positive values of V{sub m}{sup E}, indicate dispersion forces between acrylic esters and DMF. > V{sub m}{sup E} values compared with Redlich-Kister polynomial. > Partial molar volumes data conclude that weak interactions exist in the systems. > Measured velocity values compared with theoretical values obtained by polynomials. - Abstract: Ultrasonic velocities, u, densities, {rho}, of binary mixtures of N,N-dimethyl formamide (DMF) with methyl acrylate (MA), ethyl acrylate (EA), butyl acrylate (BA), and 2-ethyl hexyl acrylate (EHA), including pure liquids, over the entire composition range have been measured at T = 308.15 K. Using the experimental results, the excess molar volume, V{sub m}{sup E}, partial molar volumes, V-bar {sub m,1}, V-bar{sub m,2}, and excess partial molar volumes, V-bar{sub m,1}{sup E}, V-bar{sub m,2}{sup E} have been calculated. Molecular interactions in the systems have been studied in the light of variation of excess values of calculated properties. The excess properties have been fitted to Redlich-Kister type polynomial and the corresponding standard deviations have been calculated. The positive values of V{sub m}{sup E} indicate the presence of dispersion forces between the DMF and acrylic ester molecules. Further theoretical values of sound velocity in the mixtures have been evaluated using various theories and have been compared with experimental sound velocities to verify the applicability of such theories to the systems studied. Theoretical ultrasonic velocity data have been used to study molecular interactions in the binary systems investigated.

  4. Study of accurate volume measurement system for plutonium nitrate solution

    Energy Technology Data Exchange (ETDEWEB)

    Hosoma, T. [Power Reactor and Nuclear Fuel Development Corp., Tokai, Ibaraki (Japan). Tokai Works

    1998-12-01

    It is important for effective safeguarding of nuclear materials to establish a technique for accurate volume measurement of plutonium nitrate solution in accountancy tank. The volume of the solution can be estimated by two differential pressures between three dip-tubes, in which the air is purged by an compressor. One of the differential pressure corresponds to the density of the solution, and another corresponds to the surface level of the solution in the tank. The measurement of the differential pressure contains many uncertain errors, such as precision of pressure transducer, fluctuation of back-pressure, generation of bubbles at the front of the dip-tubes, non-uniformity of temperature and density of the solution, pressure drop in the dip-tube, and so on. The various excess pressures at the volume measurement are discussed and corrected by a reasonable method. High precision-differential pressure measurement system is developed with a quartz oscillation type transducer which converts a differential pressure to a digital signal. The developed system is used for inspection by the government and IAEA. (M. Suetake)

  5. Molar Pregnancy

    Science.gov (United States)

    ... weeks of pregnancy Ovarian cysts Anemia Overactive thyroid (hyperthyroidism) Causes A molar pregnancy is caused by an ... have this complication than a partial molar pregnancy. Prevention If you've had a molar pregnancy, talk ...

  6. Influence of Zinc on the Surface Tension, Density and Molar Volume of (Ag-Sneut +Zn Liquid Alloys

    Directory of Open Access Journals (Sweden)

    Gąsior W.

    2016-03-01

    Full Text Available The dilatometric and maximum bubble pressure methods were applied for the measurements of the density and surface tension of liquid (Ag-Sneut +Zn lead-free solders. The experiments were carried out in the temperature range from 515 to 1223 K for the alloys of the zinc concentration equaling 0.01, 0.02, 0.04, 0.05, 0.1 and 0.2 of the mole fraction. It was found that the temperature dependence of both the density and the surface tension could be thought as linear, so they were interpreted by straight line equations. The experimental data of the molar volume of the investigated alloys were described by the polynomial dependent on the composition and temperature.

  7. Combined low-volume polyethylene glycol solution plus stimulant laxatives versus standard-volume polyethylene glycol solution: A prospective, randomized study of colon cleansing before colonoscopy

    Science.gov (United States)

    Hookey, Lawrence C; Depew, William T; Vanner, Stephen J

    2006-01-01

    INTRODUCTION The effectiveness of polyethylene glycol solutions (PEG) for colon cleansing is often limited by the inability of patients to drink adequate portions of the 4 L solution. The aim of the present study was to determine whether a reduced volume of PEG combined with stimulant laxatives would be better tolerated and as or more effective than the standard dose. METHODS Patients undergoing outpatient colonoscopy were randomly assigned to receive either low-volume PEG plus sennosides (120 mg oral sennosides syrup followed by 2 L PEG) or the standard volume preparation (4 L PEG). The subjects rated the tolerability of the preparations and their symptoms. Colonoscopists were blind to the colonic cleansing preparation and graded the cleansing efficacy using a validated tool (the Ottawa scale). RESULTS The low-volume PEG plus sennosides preparation was significantly better tolerated than the standard large volume PEG (Psennosides preparation was better tolerated, it was not as effective as standard large-volume PEG. However, in view of the significant difference in tolerance, further research investigating possible improvements in the reduced-volume regimen seems warranted. PMID:16482236

  8. Thermodynamic properties of aqueous solutions with citrate ions. Compressibility studies in aqueous solutions of citric acid

    International Nuclear Information System (INIS)

    Apelblat, Alexander; Korin, Eli; Manzurola, Emanuel

    2013-01-01

    Highlights: • Over a wide range of concentrations and temperatures sound velocities were measured in aqueous solutions of citric acid. • Compressibility properties of citric acid solutions are thermodynamically characterized. • Changes in the structure of water when citric acid is dissolved are discussed. -- Abstract: Sound velocities in aqueous solutions of citric acid were measured from 15 °C to 50 °C in 5 °C intervals, within the 0.1 mol · kg −1 to 5.0 mol · kg −1 concentration range. These sound velocities served to evaluate the isentropic and isothermal compressibilities, the apparent molar compressibilities, the isochoric thermal pressure coefficients, changes of the cubic expansion coefficients with pressure at constant temperature, the changes of heat capacities with volume and hydration numbers of citric acid in aqueous solutions

  9. Solubilities and partial molar volumes of N,N′-dibutyl-oxalamide, N,N′-dihexyl-oxalamide, N,N′-dioctyl-oxalamide in supercritical carbon dioxide

    International Nuclear Information System (INIS)

    Luo, Jie; Yang, Hai-Jian; Jin, Jing; Chang, Fei

    2012-01-01

    Highlights: ► Three new “CO 2 -philic” compounds were designed and synthesized. ► The tested solubility data were calculated and correlated with two models. ► Satisfactory agreements were obtained between the tested and calculated data. ► AARD was lower than 13% for Chrastil model correlation. ► The partial molar volumes V ¯ 2 for each compound were estimated. - Abstract: Three new potent CO 2 -philic compounds were synthesized and their structures were characterized by FT-IR, NMR, and elemental analysis. The solubility of the three compounds in supercritical CO 2 was determined at T = (313 to 353) K from 9.1 MPa to 15.0 MPa. The experimental data were correlated with two density-based models proposed by Bartle and Chrastil, and the calculated results showed good agreement with the tested data. The calculated data by Bartle model differed from the measured values by (6.76 to 9.60)%, and the average value of absolute relative deviations (AARD) with Chrastil model were observed to be between (7.42 to 12.27)%. Furthermore, solubility data were also utilized to estimate the partial molar volume V ¯ 2 for each compound in the supercritical phase using the theory developed by Kumar and Johnston.

  10. The Partial Molar Volume and Compressibility of FeO in CaO-SiO2 Liquids: Systematic Variation with Fe2+ Coordination Change

    Science.gov (United States)

    Guo, X.; Lange, R. A.; Ai, Y.

    2009-12-01

    Iron is an important element in magmatic liquid, since its concentration can range up to 18% in some basaltic liquids, and it has two oxidation states. In order to model magmatic processes, thermodynamic descriptions of silicate melts must include precise information for both the FeO and Fe2O3 components. Currently, the partial molar volume of FeO is not as well known as that for Fe2O3 because of the difficulty of performing double-bob density measurements under reducing conditions. Yet these data are required in order to convert sound speed measurements on FeO-bearing liquids into compressibility data, which in turn are needed extend density models for magmatic liquids to elevated pressures. Moreover, there is growing evidence from the spectroscopic literature that Fe2+ occurs in 4, 5, and 6-fold coordination in silicate melts, and thus it is possible that the partial molar volume and compressibility of FeO may vary with Fe2+ coordination, and thus with melt composition. To explore these issues, we have conducted both density and relaxed sound speed measurements on liquids in the CaO-FeO-SiO2 system, where the CaO/SiO2 ratio was systematically varied at constant FeO concentration (40 mol%). Density was measured between 1594 and 1813K with the double-bob Archimedean method using molybdenum bobs and crucible in a reducing gas (1%CO-99%Ar) environment. The sounds speeds were measured under similar conditions with a frequency-sweep acoustic interferometer. The derived partial molar volume of FeO increases systematically from 13.7 to 15.2 cm3/mol at 1673 K as the CaO/SiO2 ratio increases and the Fe2+ coordination number decreases. From a comparison with the crystalline volume of FeO (halite structure; 12.06 cm3/mol), which serves as a lower limit for VFeO in silicate liquids when Fe2+ is in 6-fold coordination, we estimate that the average Fe2+ coordination in our experimental melts extends up to values between 5 and 4, consistent with the spectroscopic literature. The

  11. Density, viscosity, isothermal (vapour + liquid) equilibrium, excess molar volume, viscosity deviation, and their correlations for chloroform + methyl isobutyl ketone binary system

    International Nuclear Information System (INIS)

    Clara, Rene A.; Gomez Marigliano, Ana C.; Solimo, Horacio N.

    2007-01-01

    Density and viscosity measurements for pure chloroform and methyl isobutyl ketone at T = (283.15, 293.15, 303.15, and 313.15) K as well as for the binary system {x 1 chloroform + (1 - x 1 ) methyl isobutyl ketone} at the same temperatures were made over the whole concentration range. The experimental results were fitted to empirical equations, which permit the calculation of these properties over the whole concentration and temperature ranges studied. Data of the binary mixture were further used to calculate the excess molar volume and viscosity deviation. The (vapour + liquid) equilibrium (VLE) at T = 303.15 K for this binary system was also measured in order to calculate the activity coefficients and the excess molar Gibbs energy. This binary system shows no azeotrope and negative deviations from ideal behaviour. The excess or deviation properties were fitted to the Redlich-Kister polynomial relation to obtain their coefficients and standard deviations

  12. The structure and diffusion behaviour of the neurotransmitter γ-aminobutyric acid (GABA) in neutral aqueous solutions

    International Nuclear Information System (INIS)

    Rodrigo, M.M.; Esteso, M.A.; Barros, M.F.; Verissimo, L.M.P.; Romero, C.M.; Suarez, A.F.; Ramos, M.L.; Valente, A.J.M.; Burrows, H.D.; Ribeiro, A.C.F.

    2017-01-01

    Highlights: • Diffusion coefficients and densities of binary aqueous solutions of γ-aminobutyric acid (GABA). • Dependence on both shape and size of GABA on its diffusion. • Interactions intramolecular and the solute-water interactions in these systems. - Abstract: GABA (γ-aminobutyric acid) is a non-protein amino acid with important physiological properties, and with considerable relevance to the food and pharmaceutical industries. Particular interest has focused on its role as an inhibitory neurotransmitter in the mammalian cerebral cortex. In this paper, we report density and mutual diffusion coefficients of GABA in non-buffered aqueous solutions (0.001–0.100) mol·dm −3 at 298.15 K. Under these conditions, 1 H and 13 C NMR spectroscopy and pH measurements show that it is present predominantly as a monomeric zwitterionic species. Diffusion coefficients have been computed assuming that this behaves as the binary system GABA/water. From density and intermolecular diffusion coefficients measurements, the molar volume, hydrodynamic radii, R h , diffusion coefficients at infinitesimal concentration, D 0 , activity coefficients and the thermodynamic factors, F T , have been estimated. Within experimental error, the hydrodynamic volume calculated from this is identical to the molar volume obtained from density measurements. From the NMR spectra and literature data, it is suggested that this amino acid diffuses in aqueous solution as a curved, coil-like hydrated zwitterionic entity.

  13. MOLAR UPRIGHTING

    Directory of Open Access Journals (Sweden)

    Eka Erwansyah

    2006-04-01

    Full Text Available The mesial tipping of molar is frequently found in orthodontic cases. This molar malposition must be corrected since it may cause periodontal disorders, occlusal interferences, and temporomandibular joint dysfunction, and is often needed in planning a fixed bridge. This paper is a literature study to discuss about appliance designs, indication, and contraindications, and complication and treatment protocols of molar uprighting by fixed orthodontic appliances. By knowing the techniques of molar uprighting, the moments mentioned above can be avoided.

  14. Interactions of dipeptides with Triton X-100 in aqueous solution: A volumetric and spectroscopic study

    International Nuclear Information System (INIS)

    Yan, Zhenning; Wu, Shuangyan; Pan, Qi; Geng, Rui; Gu, Bixin; Wang, Jianji

    2014-01-01

    Highlights: • The values of V 2,ϕ o and Δ t V° are positive. • Interactions of Triton X-100 with charged and polar groups of dipeptides dominate. • Addition of dipeptide in water decreases the c cmc and the aggregation number of Triton X-100. • The affinity between dipeptide and Triton X-100 micelle increases with the increase in the length of alkyl chain of peptides. • Triton X-100 interacts with dipeptides more weakly than SDS. -- Abstract: The interactions of dipeptides with Triton X-100 in aqueous solution have been investigated by means of density, fluorescence spectroscopy and UV–vis spectroscopy. The standard partial molar volume (V 2,ϕ o ), standard partial molar volume of transfer for dipeptide from water to aqueous Triton X-100 solution (Δ t V o ) and partial molar expansibility (E ϕ o ) have been calculated from density data. Fluorescence spectroscopy was used to estimate the critical micellar concentration (c cmc ) and micelle aggregation number of Triton X-100 in aqueous dipeptide solutions. Effects of temperature and hydrocarbon chain length of dipeptides on the volumetric properties of dipeptide and critical micelle concentration (c cmc ) of Triton X-100 were examined. The pyrene fluorescence spectra were also used to study the change of micropolarity produced by the interactions of Triton X-100 with dipeptides. From the results of UV–vis absorption spectra, the binding constant between dipeptide and Triton X-100 above the c cmc was determined. The results have been interpreted in terms of solute–solvent interactions and structural changes in the mixed solutions

  15. Fusión de un tercer molar mandibular con un cuarto molar supernumerario Fusion of mandibular third molar with supernumerary fourth molar

    Directory of Open Access Journals (Sweden)

    C. López Carriches

    2008-10-01

    Full Text Available La fusión dental es la unión de dos gérmenes dentales normalmente separados, mientras que la geminación se define como el intento de división de un único germen dental. La fusión y geminación de molares es poco frecuente en la dentición permanente. Describimos un caso clínico de un tercer molar inferior derecho fusionado a un cuarto molar supernumerario en un paciente varón de 36 años que ha presentado repetidos episodios de pericoronaritis. Tras el estudio radiológico se realiza la exodoncia del cordal semiincluido bajo anestesia local. Llevamos a cabo una revisión bibliográfica al respecto.Dental fusion is the union of two tooth buds that normally are separated, while gemination is defined as an attempt by a single tooth bud to divide. The fusion and gemination of molars is uncommon in permanent teeth. We report a clinical case of a right lower third molar fused to a supernumerary fourth molar in a 36-year-old male patient with repeated episodes of inflammation. After the radiologic study, the semi-impacted third molar was extracted under local anesthesia. The literature was reviewed.

  16. Buoyancy Effect of Ionic Vacancy on the Change of the Partial Molar Volume in Ferricyanide-Ferrocyanide Redox Reaction under a Vertical Gravity Field

    Directory of Open Access Journals (Sweden)

    Yoshinobu Oshikiri

    2013-01-01

    Full Text Available With a gravity electrode (GE in a vertical gravity field, the buoyancy effect of ionic vacancy on the change of the partial molar volume in the redox reaction between ferricyanide (FERRI and ferrocyanide (FERRO ions was examined. The buoyancy force of ionic vacancy takes a positive or negative value, depending on whether the rate-determining step is the production or extinction of the vacancy. Though the upward convection over an upward electrode in the FERRO ion oxidation suggests the contribution of the positive buoyancy force arising from the vacancy production, the partial molar volume of the vacancy was not measured. On the other hand, for the downward convection under a downward electrode in the FERRI ion reduction, it was not completely but partly measured by the contribution of the negative buoyancy force from the vacancy extinction. Since the lifetime of the vacancy is decreased by the collision between ionic vacancies during the convection, the former result was ascribed to the shortened lifetime due to the increasing collision efficiency in the enhanced upward convection over an upward electrode, whereas the latter was thought to arise from the elongated lifetime due to the decreasing collision efficiency by the stagnation under the downward electrode.

  17. Pressão interna e refração molar dos sistemas dimetilsulfóxido + tiofeno, dimetilsulfóxido + piridina a 298,15K

    OpenAIRE

    AZNAREZ, Silvia Beatriz; POSTIGO, Miguel Ángelo; MARTINS, Adair

    1999-01-01

    Pressão interna, volume livre, refração molar e propriedades termodinâmicas de excesso de misturas líquidas binárias de dimetil sulfóxido + tiofeno e dimetil sulfóxido + piridina a 298.15K foram calculadas a partir de medidas experimentais de densidades, tensão superficial e índice de refração. A relação entre a pressão interna, volume molar de excesso, refração molar, e a interação molecular dos sistemas binários é examinada. Internal pressure, free volume, molar refraction and excess mol...

  18. Root canal morphology of primary molars: a micro-computed tomography study.

    Science.gov (United States)

    Fumes, A C; Sousa-Neto, M D; Leoni, G B; Versiani, M A; da Silva, L A B; da Silva, R A B; Consolaro, A

    2014-10-01

    This was to investigate the root canal morphology of primary molar teeth using micro-computed tomography. Primary maxillary (n = 20) and mandibular (n = 20) molars were scanned at a resolution of 16.7 μm and analysed regarding the number, location, volume, area, structured model index (SMI), area, roundness, diameters, and length of canals, as well as the thickness of dentine in the apical third. Data were statistically compared by using paired-sample t test, independent sample t test, and one-way analysis of variance with significance level set as 5%. Overall, no statistical differences were found between the canals with respect to length, SMI, dentine thickness, area, roundness, and diameter (p > 0.05). A double canal system was observed in the mesial and mesio-buccal roots of the mandibular and maxillary molars, respectively. The thickness in the internal aspect of the roots was lower than in the external aspect. Cross-sectional evaluation of the roots in the apical third showed flat-shaped canals in the mandibular molars and ribbon- and oval-shaped canals in the maxillary molars. External and internal anatomy of the primary first molars closely resemble the primary second molars. The reported data may help clinicians to obtain a thorough understanding of the morphological variations of root canals in primary molars to overcome problems related to shaping and cleaning procedures, allowing appropriate management strategies for root canal treatment.

  19. AXIAL MODIFICATIONS OF PERMANENT LOWER MOLARS AFTER PREMATURE LOSSES OF TEMPORARY MOLARS.

    Science.gov (United States)

    Cernei, E R; Mavru, R B; Zetu, Irina Nicoleta

    2016-01-01

    The aim of our study was to determine the impact of premature loss of temporary lower molars upon the longitudinal axis of the first and second permanent molars. The study groups included 61 patients, 6-9 year olds with premature loss of primary molars and a control group of 24 patients with intact temporary teeth. We evaluated the angle between longitudinal axis of first and second lower permanent molars and occlusal plane. It was observed that premature loss of lower second deciduous molar modifies more the vertical axis of first and second permanent molars than the premature loss of first lower primary molar. Reducing space occurs mainly through mesial inclination of molars that separates the edentulous breach. Temporary loss of both lower first molars on the same quadrant causes an accelerated eruption of both premolars increasing the prevalence of eruption sequence: "4-5-3-7". The preservation of the occlusal morpho-functional complex using space maintainers mainly when the premature loss of the second primary molars occurs is the best interceptive treatment option.

  20. Hydrophobic hydration and anomalous excess partial molar volume of tert-butyl alcohol-water mixture studied by quasielastic neutron scattering

    International Nuclear Information System (INIS)

    Nakada, Masaru; Maruyama, Kenji; Misawa, Masakatsu; Yamamuro, Osamu

    2007-01-01

    Quasielastic neutron scattering has been used to investigate the hydration of alcohol clusters in tert-butyl alcohol-water mixture. The measurements were made in a range of alcohol concentration, x TBA , from 0.0 to 0.17 in mole fraction at 25degC. Fraction, α, of water molecules hydrated to fractal-surface of alcohol clusters in tert-butyl alcohol-water mixture was obtained as a function of alcohol concentration. Average hydration number N WS of tert-butyl alcohol molecule was derived from the value of α as a function of alcohol concentration. The value of N WS for an isolated alcohol molecule in water was 19-21. The anomalous excess partial molar volume of tert-butyl alcohol-water mixture was interpreted successfully by applying the same model with the same values of volume parameter as used for 1-propanol-water mixture, δ 1 (=-0.36 cm 3 ·mol -1 ) and δ 2 (=0.60 cm 3 ·mol -1 ). (author)

  1. What is the fundamental ion-specific series for anions and cations? Ion specificity in standard partial molar volumes of electrolytes and electrostriction in water and non-aqueous solvents† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc02691a Click here for additional data file.

    Science.gov (United States)

    Mazzini, Virginia

    2017-01-01

    The importance of electrolyte solutions cannot be overstated. Beyond the ionic strength of electrolyte solutions the specific nature of the ions present is vital in controlling a host of properties. Therefore ion specificity is fundamentally important in physical chemistry, engineering and biology. The observation that the strengths of the effect of ions often follows well established series suggests that a single predictive and quantitative description of specific-ion effects covering a wide range of systems is possible. Such a theory would revolutionise applications of physical chemistry from polymer precipitation to drug design. Current approaches to understanding specific-ion effects involve consideration of the ions themselves, the solvent and relevant interfaces and the interactions between them. Here we investigate the specific-ion effects trends of standard partial molar volumes and electrostrictive volumes of electrolytes in water and eleven non-aqueous solvents. We choose these measures as they relate to bulk properties at infinite dilution, therefore they are the simplest electrolyte systems. This is done to test the hypothesis that the ions alone exhibit a specific-ion effect series that is independent of the solvent and unrelated to surface properties. The specific-ion effects trends of standard partial molar volumes and normalised electrostrictive volumes examined in this work show a fundamental ion-specific series that is reproduced across the solvents, which is the Hofmeister series for anions and the reverse lyotropic series for cations, supporting the hypothesis. This outcome is important in demonstrating that ion specificity is observed at infinite dilution and demonstrates that the complexity observed in the manifestation of specific-ion effects in a very wide range of systems is due to perturbations of solvent, surfaces and concentration on the underlying fundamental series. This knowledge will guide a general understanding of specific

  2. Volume properties and refraction of aqueous solutions of bisadducts of light fullerene C60 and essential amino acids lysine, threonine, and oxyproline (C60(C6H13N2O2)2, C60(C4H8NO3)2, and C60(C5H9NO2)2) at 25°C

    Science.gov (United States)

    Semenov, K. N.; Ivanova, N. M.; Charykov, N. A.; Keskinov, V. A.; Kalacheva, S. S.; Duryagina, N. N.; Garamova, P. V.; Kulenova, N. A.; Nabieva, A.

    2017-02-01

    Concentration dependences of the density of aqueous solutions of bisadducts of light fullerene C60 and essential amino acids are studied by pycnometry. Concentration dependences of the average molar volumes and partial volumes of components (H2O and corresponding bisadducts) are calculated for C60(C6H13N2O2)2-H2O, C60(C4H8NO3)2-H2O, and C60(C5H9NO2)2-H2O binary systems at 25°C. Concentration dependences of the indices of refraction of C60(C6H13N2O2)2-H2O, C60(C4H8NO3)2-H2O, and C60(C5H9NO2)2-H2O binary systems are determined at 25°C. The concentration dependences of specific refraction and molar refraction of bisadducts and aqueous solutions of them are calculated.

  3. Estudios físico-químicos de miscelas de aceites vegetales XIV. Volumen molar, refracción molar y viscosidad de disoluciones de estearato de metilo en ciciohexano, hexano, tetracloroetileno o tricloroetileno

    Directory of Open Access Journals (Sweden)

    Muñoz Cueto, María J.

    1991-02-01

    Full Text Available In the miscelies studied, molar volume and molar refraction values show linear dependence with the molar fraction of methyl stearate. Viscosity values fit Hildebrand's modified equation, where the "Vo" parameter is a linear function of the molar fraction of methyl stearate. Regarding with this three physico-chemical properties, the mixtures studied behave like ideal mixtures of two organic liquids without ionization.

    En todas las miscelas estudiadas los valores del volumen molar y de la refracción molar presentan variaciones lineales en función de la fracción molar de estearato de metilo. Los valores de viscosidad de las miscelas estudiadas se ajustan a la ecuación de fluidez de Hildebrand modificada, siendo su parámetro "Vo" función lineal de la fracción molar de estearato de metilo. En relación con estas tres características, el comportamiento de las miscelas estudiadas no difiere significativamente del correspondiente a una mezcla "ideal" de dos líquidos orgánicos sin ionizar.

  4. Three-dimensional quantitative analysis of adhesive remnants and enamel loss resulting from debonding orthodontic molar tubes.

    Science.gov (United States)

    Janiszewska-Olszowska, Joanna; Tandecka, Katarzyna; Szatkiewicz, Tomasz; Sporniak-Tutak, Katarzyna; Grocholewicz, Katarzyna

    2014-09-10

    Presenting a new method for direct, quantitative analysis of enamel surface. Measurement of adhesive remnants and enamel loss resulting from debonding molar tubes. Buccal surfaces of fifteen extracted human molars were directly scanned with an optic blue-light 3D scanner to the nearest 2 μm. After 20 s etching molar tubes were bonded and after 24 h storing in 0.9% saline - debonded. Then 3D scanning was repeated. Superimposition and comparison were proceeded and shape alterations of the entire objects were analyzed using specialized computer software. Residual adhesive heights as well as enamel loss depths have been obtained for the entire buccal surfaces. Residual adhesive volume and enamel loss volume have been calculated for every tooth. The maximum height of adhesive remaining on enamel surface was 0.76 mm and the volume on particular teeth ranged from 0.047 mm3 to 4.16 mm3. The median adhesive remnant volume was 0.988 mm3. Mean depths of enamel loss for particular teeth ranged from 0.0076 mm to 0.0416 mm. Highest maximum depth of enamel loss was 0.207 mm. Median volume of enamel loss was 0.104 mm3 and maximum volume was 1.484 mm3. Blue-light 3D scanning is able to provide direct precise scans of the enamel surface, which can be superimposed in order to calculate shape alterations. Debonding molar tubes leaves a certain amount of adhesive remnants on the enamel, however the interface fracture pattern varies for particular teeth and areas of enamel loss are present as well.

  5. Theoretical study for volume changes associated with the helix-coil transition of peptides.

    Science.gov (United States)

    Imai, T; Harano, Y; Kovalenko, A; Hirata, F

    2001-12-01

    We calculate the partial molar volumes and their changes associated with the coil(extended)-to-helix transition of two types of peptide, glycine-oligomer and glutamic acid-oligomer, in aqueous solutions by using the Kirkwood-Buff solution theory coupled with the three-dimensional reference interaction site model (3D-RISM) theory. The volume changes associated with the transition are small and positive. The volume is analyzed by decomposing it into five contributions following the procedure proposed by Chalikian and Breslauer: the ideal volume, the van der Waals volume, the void volume, the thermal volume, and the interaction volume. The ideal volumes and the van der Waals volumes do not change appreciably upon the transition. In the both cases of glycine-peptide and glutamic acid-peptide, the changes in the void volumes are positive, while those in the thermal volumes are negative, and tend to balance those in the void volumes. The change in the interaction volume of glycine-peptide does not significantly contribute, while that of glutamic acid-peptide makes a negative contribution. Copyright 2001 John Wiley & Sons, Inc. Biopolymers 59: 512-519, 2001

  6. Low-tmperature Heat Capacities and Standard Molar Enthalpy of Formation of 4-Nitrobenzyl Alcohol

    Institute of Scientific and Technical Information of China (English)

    MENG, Qingfen; TAN, Zhicheng; WANG, Xiaohuan; DONG, Yaping; LI, Wu; SHI, Quan

    2009-01-01

    Low-temperature heat capacities of 4-nitrobenzyl alcohol (4-NBA) have been measured by a high precision automated adiabatic calorimeter over the temperature range from 78 to 396 K. The melting temperature, the molar calculated in the range from 80 to 400 K at the interval of 5 K. The constant-volume energy and standard molar en- at T=298.15 K. The standard molar enthalpy of formation has been derived, ΔfHom(C7H7NO3, s)=-(206.49± namic quantities through a Hess thermochemical cycle.

  7. Effect of sodium caproate on the volumetric and viscometric properties of glycine, DL-α-alanine, and DL-α-amino-n-butyric acid in aqueous solutions

    International Nuclear Information System (INIS)

    Wang Jianji; Yan Zhenning; Lu Jinsuo

    2004-01-01

    The apparent molar volumes (V m,2 ) and relative viscosities (η r ) at T=(298.15 and 308.15) K have been obtained for glycine, DL-α-alanine, and DL-α-amino-butyric acid in aqueous sodium caproate solutions from measurements of density and the flow time. The standard partial molar volumes (V 0 m,2 ), standard volumes of transfer (Δ t V 0 ), the viscosity B-coefficients, and the activation thermodynamic quantities (Δμ 2 0≠ and ΔS 2 0≠ ) of viscous flow have been calculated for the amino acids. It is shown that the standard partial molar volumes, viscosity B-coefficients, and activation free energies for viscous flow increase with increasing number of carbon atoms in the alkyl chain of the amino acids. An increase in V 0 m,2 and Δ t V 0 with increasing electrolyte concentrations have been explained due to the interactions of sodium caproate with the charged center of zwitterions for the amino acids. A comparison of the V 0 m,2 values for glycine, DL-α-alanine, and DL-α-aminon-n-butyric acid in different aqueous salts solutions showed that carboxylate ions have stronger interactions with amino acid than chloride, thiocyanate, and nitrate ions. Results of viscosity are discussed in terms of changes in solvent structure

  8. Mass-action model analysis of the apparent molar volume and heat capacity of pluronics in water and liposome suspensions at 25 °C.

    Science.gov (United States)

    Quirion, François; Meilleur, Luc; Lévesque, Isabelle

    2013-07-09

    Pluronics are block copolymers composed of a central block of polypropylene oxide and two side chains of polyethylene oxide. They are used in water to generate aggregates and gels or added to phospholipid suspensions to prepare microparticles for drug delivery applications. The structure of these systems has been widely investigated. However, little is known about the mechanisms leading to these structures. This investigation compares the apparent molar volumes and heat capacities of Pluronics F38, F108, F127, P85, P104, and P103 at 25 °C in water and in the presence of lecithin liposomes. The changes in molar volumes, heat capacities, and enthalpies generated by a mass-action model are in good agreement with the loss of hydrophobic hydration of the polypropylene oxide central block of the Pluronics. However, the molecularity of the endothermic transitions is much smaller than the aggregation numbers reported in the literature for the same systems. It is suggested that Pluronics go through dehydration of their central block to form unimolecular or small entities having a hydrophobic polypropylene oxide core. In water, these entities would assemble athermally to form larger aggregates. In the presence of liposomes, they would be transferred into the hydrophobic lecithin bilayers of the liposomes. Light transmission experiments suggest that the liposome suspensions are significantly altered only when the added Pluronics are in the dehydrated state.

  9. The Partial Molar Volume and Thermal Expansivity of Fe2O3 in Alkali Silicate Liquids: Evidence for the Average Coordination of Fe3+

    Science.gov (United States)

    Liu, Q.; Lange, R.

    2003-12-01

    Ferric iron is an important component in magmatic liquids, especially in those formed at subduction zones. Although it has long been known that Fe3+ occurs in four-, five- and six-fold coordination in crystalline compounds, only recently have all three Fe3+ coordination sites been confirmed in silicate glasses utilizing XANES spectroscopy at the Fe K-edge (Farges et al., 2003). Because the density of a magmatic liquid is largely determined by the geometrical packing of its network-forming cations (e.g., Si4+, Al3+, Ti4+, and Fe3+), the capacity of Fe3+ to undergo composition-induced coordination change affects the partial molar volume of the Fe2O3 component, which must be known to calculate how the ferric-ferrous ratio in magmatic liquids changes with pressure. Previous work has shown that the partial molar volume of Fe2O3 (VFe2O3) varies between calcic vs. sodic silicate melts (Mo et al., 1982; Dingwell and Brearley, 1988; Dingwell et al., 1988). The purpose of this study is to extend the data set in order to search for systematic variations in VFe2O3 with melt composition. High temperature (867-1534° C) density measurements were performed on eleven liquids in the Na2O-Fe2O3-FeO-SiO2 (NFS) system and five liquids in the K2O-Fe2O3-FeO-SiO2 (KFS) system using Pt double-bob Archimedean method. The ferric-ferrous ratio in the sodic and potassic liquids at each temperature of density measurement were calculated from the experimentally calibrated models of Lange and Carmichael (1989) and Tangeman et al. (2001) respectively. Compositions range (in mol%) from 4-18 Fe2O3, 0-3 FeO, 12-39 Na2O, 25-37 K2O, and 43-78 SiO2. Our density data are consistent with those of Dingwell et al. (1988) on similar sodic liquids. Our results indicate that for all five KFS liquids and for eight of eleven NFS liquids, the partial molar volume of the Fe2O3 component is a constant (41.57 ñ 0.14 cm3/mol) and exhibits zero thermal expansivity (similar to that for the SiO2 component). This value

  10. Excess Molar Volume, Viscosity and Heat Capacity for the Binary Mixture of p-Xylene and Acetic Acid at Different Temperatures%对二甲苯和醋酸二元液体混合物在不同温度下的超额摩尔体积、粘度和热容

    Institute of Scientific and Technical Information of China (English)

    杨长生; 马沛生; 唐多强; 尹秋响; 赵长伟

    2002-01-01

    Experimental densities, viscosities and heat capacities at different temperatures were presented overthe entire range of mole fraction for the binary mixture of p-xylene and acetic acid. Density values were used in thedetermination of excess molar volumes, VE. At the same time, the excess viscosity and excess molar heat capacitieswere calculated. The values of VE, ηE and cpE were fitted to the Redlich-Kister equation. Good agreements wereobserved. The excess molar volumes are positive with a large maximum value located in the central concentrationrange. The excess viscosity has an opposite trend to the excess molar volume VE. ηE values are negative over theentire range of the mixture. The cure of dependence of cEp on concentration has a special shape. The molecularinteraction between p-xylene and acetic acid is discussed.

  11. Three-dimensional analysis of third molar development to estimate age of majority.

    Science.gov (United States)

    Márquez-Ruiz, Ana Belén; Treviño-Tijerina, María Concepción; González-Herrera, Lucas; Sánchez, Belén; González-Ramírez, Amanda Rocío; Valenzuela, Aurora

    2017-09-01

    Third molars are one of the few biological markers available for age estimation in undocumented juveniles close the legal age of majority, assuming an age of 18years as the most frequent legal demarcation between child and adult status. To obtain more accurate visualization and evaluation of third molar mineralization patterns from computed tomography images, a new software application, DentaVol©, was developed. Third molar mineralization according to qualitative (Demirjian's maturational stage) and quantitative parameters (third molar volume) of dental development was assessed in multi-slice helical computed tomography images of both maxillary arches displayed by DentaVol© from 135 individuals (62 females and 73 males) aged between 14 and 23years. Intra- and inter-observer agreement values were remarkably high for both evaluation procedures and for all third molars. A linear correlation between third molar mineralization and chronological age was found, with third molar maturity occurring earlier in males than in females. Assessment of dental development with both procedures, by using DentaVol© software, can be considered a good indicator of age of majority (18years or older) in all third molars. Our results indicated that virtual computed tomography imaging can be considered a valid alternative to orthopantomography for evaluations of third molar mineralization, and therefore a complementary tool for determining the age of majority. Copyright © 2017 The Chartered Society of Forensic Sciences. Published by Elsevier B.V. All rights reserved.

  12. Effect of restoration volume on stresses in a mandibular molar: a finite element study.

    Science.gov (United States)

    Wayne, Jennifer S; Chande, Ruchi; Porter, H Christian; Janus, Charles

    2014-10-01

    There can be significant disagreement among dentists when planning treatment for a tooth with a failing medium-to-large--sized restoration. The clinician must determine whether the restoration should be replaced or treated with a crown, which covers and protects the remaining weakened tooth structure during function. The purpose of this study was to evaluate the stresses generated in different sized amalgam restorations via a computational modeling approach and reveal whether a predictable pattern emerges. A computer tomography scan was performed of an extracted mandibular first molar, and the resulting images were imported into a medical imaging software package for tissue segmentation. The software was used to separate the enamel, dentin, and pulp cavity through density thresholding and surface rendering. These tissue structures then were imported into 3-dimensional computer-aided design software in which material properties appropriate to the tissues in the model were assigned. A static finite element analysis was conducted to investigate the stresses that result from normal occlusal forces. Five models were analyzed, 1 with no restoration and 4 with increasingly larger restoration volume proportions: a normal-sized tooth, a small-sized restoration, 2 medium-sized restorations, and 1 large restoration as determined from bitewing radiographs and occlusal surface digital photographs. The resulting von Mises stresses for dentin-enamel of the loaded portion of the tooth grew progressively greater as the size of the restoration increased. The average stress in the normal, unrestored tooth was 4.13 MPa, whereas the smallest restoration size increased this stress to 5.52 MPa. The largest restoration had a dentin-enamel stress of 6.47 MPa. A linear correlation existed between restoration size and dentin-enamel stress, with an R(2) of 0.97. A larger restoration volume proportion resulted in higher dentin-enamel stresses under static loading. A comparison of the von Mises

  13. Small-volume resuscitation from hemorrhagic shock with polymerized human serum albumin.

    Science.gov (United States)

    Messmer, Catalina; Yalcin, Ozlem; Palmer, Andre F; Cabrales, Pedro

    2012-10-01

    Human serum albumin (HSA) is used as a plasma expander; however, albumin is readily eliminated from the intravascular space. The objective of this study was to establish the effects of various-sized polymerized HSAs (PolyHSAs) during small-volume resuscitation from hemorrhagic shock on systemic parameters, microvascular hemodynamics, and functional capillary density in the hamster window chamber model. Polymerized HSA size was controlled by varying the cross-link density (ie, molar ratio of glutaraldehyde to HSA). Hemorrhage was induced by controlled arterial bleeding of 50% of the animal's blood volume (BV), and hypovolemic shock was maintained for 1 hour. Resuscitation was implemented in 2 phases, first, by infusion of 3.5% of the BV of hypertonic saline (7.5% NaCl) then followed by infusion of 10% of the BV of each PolyHSA. Resuscitation provided rapid recovery of blood pressure, blood gas parameters, and microvascular perfusion. Polymerized HSA at a glutaraldehyde-to-HSA molar ratio of 60:1 (PolyHSA(60:1)) provided superior recovery of blood pressure, microvascular blood flow, and functional capillary density, and acid-base balance, with sustained volume expansion in relation to the volume infused. The high molecular weight of PolyHSA(60:1) increased the hydrodynamic radius and solution viscosity. Pharmacokinetic analysis of PolyHSA(60:1) indicates reduced clearance and increased circulatory half-life compared with monomeric HSA and other PolyHSA formulations. In conclusion, HSA molecular size and solution viscosity affect central hemodynamics, microvascular blood flow, volume expansion, and circulation persistence during small-volume resuscitation from hemorrhagic shock. In addition, PolyHSA can be an alternative to HSA in pathophysiological situations with compromised vascular permeability. Copyright © 2012 Elsevier Inc. All rights reserved.

  14. Evaluation of Molar Volume Effect for Calculation of Diffusion in Binary Systems

    Czech Academy of Sciences Publication Activity Database

    Vach, Marek; Svojtka, Martin

    2012-01-01

    Roč. 43, č. 6 (2012), s. 1446-1453 ISSN 1073-5615 R&D Projects: GA AV ČR IAA3013006 Institutional support: RVO:67985831 Keywords : difussion profile * molar efect * regression function Subject RIV: DB - Geology ; Mineralogy Impact factor: 1.212, year: 2012

  15. Enthalpy of solution of rubidium nitrate in water

    International Nuclear Information System (INIS)

    Weintraub, R.; Apelblat, A.; Tamir, A.

    1984-01-01

    Molar enthalpies of solution of RbNO 3 in water at 298.15 K were measured in an LKB calorimeter. The molar enthalpies of solution extrapolated to infinite solution are: (36788 +- 30)J. mol -1 (Alfa) and (36539 +- 52)J.mol -1 (Aldrich). (author)

  16. Equilibrium and Dynamic Osmotic Behaviour of Aqueous Solutions with Varied Concentration at Constant and Variable Volume

    Science.gov (United States)

    Minkov, Ivan L.; Manev, Emil D.; Sazdanova, Svetla V.; Kolikov, Kiril H.

    2013-01-01

    Osmosis is essential for the living organisms. In biological systems the process usually occurs in confined volumes and may express specific features. The osmotic pressure in aqueous solutions was studied here experimentally as a function of solute concentration (0.05–0.5 M) in two different regimes: of constant and variable solution volume. Sucrose, a biologically active substance, was chosen as a reference solute for the complex tests. A custom made osmotic cell was used. A novel operative experimental approach, employing limited variation of the solution volume, was developed and applied for the purpose. The established equilibrium values of the osmotic pressure are in agreement with the theoretical expectations and do not exhibit any evident differences for both regimes. In contrast, the obtained kinetic dependences reveal striking divergence in the rates of the process at constant and varied solution volume for the respective solute concentrations. The rise of pressure is much faster at constant solution volume, while the solvent influx is many times greater in the regime of variable volume. The results obtained suggest a feasible mechanism for the way in which the living cells rapidly achieve osmotic equilibrium upon changes in the environment. PMID:24459448

  17. Endodontic management of a mandibular third molar fused with a fourth molar.

    Science.gov (United States)

    Turell, I L; Zmener, O

    1999-05-01

    Developmental anomalies in permanent molars frequently require surgical intervention. A case of a mandibular third molar fused with a fourth molar which was successfully treated with conservative endodontic therapy is reported.

  18. Excess Molar Volume,Viscosity and Heat Capacity for the Mixture of 1,2—Propanediol—Water at Different Temperatures

    Institute of Scientific and Technical Information of China (English)

    杨长生; 马沛生; 唐多强; 靳凤民

    2003-01-01

    Experimental densities,viscosities and heat capacities at different emperatures were presented over the entire mole fraction range for the binary mixture of 1,2-propanediol and water,Density values were used in the determination of excess molar volumes,VE,At the same time,the excess viscosity was in vestigated,The values of VE and ηE were fitted to the Redlich-kister equation.Good agreement was observed,The excess volumes are negative over the entire range of composition.They show an U-shaped-concentration dependence and decrease in abolute values with increase of temperature,Values of ηE are negative over the entire range of the composition,and has a trend very similar to that of VE ,The analysis shows that at any temperature the specific heat of mixture is a linear function of the composition as x1>20%,All the extended lines intersect at one point.An empirical equation is obtained to calculate the specific heat to mixture at any composition and temperature in the experimental range.

  19. Volumetric properties of aqueous solutions of glutaric acid

    International Nuclear Information System (INIS)

    Ben-Hamo, Meyrav; Apelblat, Alexander; Manzurola, Emanuel

    2007-01-01

    Densities of aqueous solutions with molalities up to 6 mol . kg -1 were determined at 5 K temperature intervals, from T = 288.15 K to T = 333.15 K. Densities served to evaluate the apparent molar volumes, V 2,φ (m, T), the cubic expansion coefficients, α(m, T), and the changes of isobaric heat capacities with respect to pressure, (∂C P /∂P) T,m . They were qualitatively correlated with the changes in the structure of water when glutaric acid is dissolved in it

  20. Effectiveness of various sterilization methods of contaminated post-fitted molar band

    Directory of Open Access Journals (Sweden)

    Anggia Tridianti

    2013-06-01

    Full Text Available Background: Molar band as anchoring device may be contaminated during the fitting process. Thus, decontamination process is essential to prevent cross-infection between patients. Purpose: The objective of this research was to determine the amount of bacteria in molar band post-fitted on the patient teeth, after previously undergone pre-sterilization using alcohol and ultrasonic cleaning bath followed by sterilization using dry heat oven and steam autoclave, in order to find the best method in decontamination of post-fitted molar band. Methods: Four molar bands which already fitted on one patient then divided evenly into two groups. The first group was pre-sterilized using alcohol. One of the bands then sterilized using dry heat oven, while the other one was sterilized using steam autoclave. The second group was pre-sterilized using ultrasonic cleaning bath. One band from this group then sterilized using dry heat oven and the other was sterilized using steam autoclave. The next step was to immerse all the bands in a phosphate-buffered saline solution. Using micropipette, the solution was retrieved and dropped upon a petri dish containing Brain Heart Infusion broth. The dish was then stored in an incubator for 24 hours, prior to counting the number of bacteria existed. The same methods were used to the rest of the patients, with total 128 molar bands from 32 patients. Results: There was a profound difference in numbers of bacteria found between those methods of sterilization. However, there was a non significant difference between the two groups which were at the alcohol-steam autoclave group and at the ultrasonic cleaning bath-steam autoclave group. Conclusion: This study showed that steam autoclave is better than for sterilizing molar band, as it left the minimal amount of bacteria in post-fitted molar band.Latar belakang: Molar band merupakan suatu alat penjangkaran yang dapat mengalami kontaminasi selama proses fitting band, sehingga perlu

  1. Rapid Resuscitation with Small Volume Hypertonic Saline Solution ...

    African Journals Online (AJOL)

    Rapid Resuscitation with Small Volume Hypertonic Saline Solution for Patients in Traumatic Haemorrhagic Shock. ... The data were entered into a computer data base and analysed. Results: Forty five patients were enrolled and resuscitated with 250 mls 7.5% HSS. Among the studied patients, 88.9% recovered from shock ...

  2. The salting-out effect and phase separation in aqueous solutions of tri-sodium citrate and 1-butyl-3-methylimidazolium bromide

    International Nuclear Information System (INIS)

    Sadeghi, Rahmat; Golabiazar, Roonak; Shekaari, Hemayat

    2010-01-01

    The aim of this work is to obtain further evidence about the salting-out effect produced by the addition of tri-sodium citrate to aqueous solutions of water miscible ionic liquid 1-butyl-3-methylimidazolium bromide ([C 4 mim][Br]) by evaluating the effect of tri-sodium citrate on the thermodynamic properties of aqueous solutions of this ionic liquid. Experimental measurements of density and sound velocity at different temperatures ranging from (288.15 to 308.15) K, the refractive index at 308.15 K and the liquid-liquid phase diagram at different temperatures ranging from (288.15 to 338.15) K for aqueous solutions containing 1-butyl-3-methylimidazolium bromide ([C 4 mim][Br]) and tri-sodium citrate (Na 3 Cit) are taken. The apparent molar volume of transfer of [C 4 mim][Br] from water to aqueous solutions of Na 3 Cit have positive values and it increases by increasing salt molality. Although at high IL molality, the apparent molar isentropic compressibility shows similar behaviour with that of the apparent molar volume. However at low concentrations of IL, the apparent molar isentropic compressibility of transfer of [C 4 mim][Br] from water to aqueous solutions of Na 3 Cit have negative values. The effects of temperature and the addition of Na 3 Cit and [C 4 mim][Br] on the liquid-liquid phase diagram of the investigated system have been studied. It was found that an increase in temperature caused the expansion of the one-phase region. The presence of Na 3 Cit triggers a salting-out effect, leading to significant upward shifts of the liquid-liquid de-mixing temperatures of the system. The effect of temperature on the phase-forming ability in the system investigated has been studied based on a salting-out coefficient obtained from fitting the binodal values to a Setschenow-type equation for each temperature. Based on cloud point values, the energetics of the clouding process have been estimated and it was found that both of entropy and enthalpy are the driving forces

  3. 二氧化碳与2-丁醇二元体系在高压下的亨利系数和偏摩尔体积性质计算%Calculation of Henry's coefficient and partial molar volume of carbon dioxide in 2-butanol at elevated pressures

    Institute of Scientific and Technical Information of China (English)

    田爱琴; 孙洪博; 陈文涛; 王琳

    2012-01-01

    Based on vapor-liquid phase equilibria data for CO2+2-butanol binary system from 323K to 353K by constant-volume visual high-pressure cell, the solubility model of CO2 in 2-butanol was established with Krichevsky-Kasarnovsky equation. Henry's coefficients and partial molar volumes of CO2 at infinite dilution were calculated. Meanwhile, Partial molar volumes of CO2 and 2-butanol at equilibrium were calculated from partial molar volumes properties together with Peng-Robinson equation of state and Van der Waals-2 mixed rule. The results showed that Henry's coefficients and partial molar volumes of CO2 at infinite dilution were both the function of temperature, and Henry's coefficients decreased with temperature. The partial molar volumes of CO2 at infinite dilution were negative and the magnitudes decreased with temperature. The calculated effects of partial molar volumes of vapor and liquid phase at equilibrium showed that the partial molar volumes of CO2 and 2-butanol in liquid phase were positive, but in vapor the partial molar volumes of CO2 were negative and the partial molar volumes of 2-butanol were positive. The research provided theoretical basis for deciding supercritical extraction conditions and instructing industrial production.%利用固定体积可视高压釜测量出的在323 K~353 K温度范围内的CO2与2-丁醇二元体系在高压下的汽液相平衡数据,根据Krichevsky-Kasarnovsky方程建立了CO2在液相中的溶解度模型,得到了该二元体系在高压下的亨利系数和CO2在无限稀释溶液中的偏摩尔体积等性质.同时根据偏摩尔体积性质和Peng-Robinson状态方程及Van der Waals-2混合规则来计算该体系在平衡状态下的气、液相的偏摩尔体积.结果表明CO2在2-丁醇中的亨利系数和CO2在无限稀释溶液中的偏摩尔体积均为温度的函数,CO2在2-丁醇中的亨利系数随温度的升高而降低.CO2在无限稀释溶液中的偏摩尔体积(V)1

  4. Excess molar volumes and deviation in viscosities of binary liquid mixtures of acrylic esters with hexane-1-ol at 303.15 and 313.15K

    OpenAIRE

    Patil, Sujata S.; Mirgane, Sunil R.; Arbad, Balasaheb R.

    2014-01-01

    Densities and viscosities for the four binary liquid mixtures of methyl acrylate, ethyl acrylate, butyl acrylate and methyl methacrylate with hexane-1-ol at temperatures 303.15 and 313.15 K and at atmospheric pressure were measured over the entire composition range. These values were used to calculate excess molar volumes and deviation in viscosities which were fitted to Redlich–Kister polynomial equation. Recently proposed Jouyban Acree model was also used to correlate the experimental value...

  5. Assorted interactions of amino acids prevailing in aqueous vitamin C solutions probed by physicochemical and ab-initio contrivances

    Science.gov (United States)

    Das, Koyeli; Roy, Milan Chandra; Rajbanshi, Biplab; Roy, Mahendra Nath

    2017-11-01

    Qualitative and quantitative analysis of molecular interaction prevailing in tyrosine and tryptophan in aqueous solution of vitamin C have been probed by thermophysical properties. The apparent molar volume (ϕV), viscosity B-coefficient, molal refraction (RM) of tyrosine and tryptophan have been studied in aqueous vitamin C solutions at diverse temperatures via Masson equation which deduced solute-solvent and solute-solute interactions, respectively. Spectroscopic study along with physicochemical and computational techniques provides lots of interesting and highly significant insights of the model biological systems. The overall results established strong solute-solvent interactions between studied amino acids and vitamin C mixture in the ternary solutions.

  6. Fusion of mandibular third molar with supernumerary fourth molar

    OpenAIRE

    López Carriches, C.; Leco Berrocal, I.; Baca Pérez-Bryan, R.

    2008-01-01

    La fusión dental es la unión de dos gérmenes dentales normalmente separados, mientras que la geminación se define como el intento de división de un único germen dental. La fusión y geminación de molares es poco frecuente en la dentición permanente. Describimos un caso clínico de un tercer molar inferior derecho fusionado a un cuarto molar supernumerario en un paciente varón de 36 años que ha presentado repetidos episodios de pericoronaritis. Tras el estudio radiológico se realiza la exodoncia...

  7. [Correlation between the lower first permanent molar axis and the premature loss of temporary molars].

    Science.gov (United States)

    Petcu, Ana; Maxim, A; Haba, Danisia

    2009-01-01

    The aim of our study was to determine the impact of premature loss of temporary molars upon the longitudinal axis of the first permanent molar. The study sample was formed by 94 orthopanthomografies of child patients with premature loss of lower temporary molars (first or second) after clinical eruption of the first permanent molar. All panoramic radiographs have been realized with the same panoramic unit with 1.4% magnification coefficient and were analyzed using a standardized technique of tracing the images of teeth and bone on matte acetate paper. It was evaluated the angle between longitudinal axis of first permanent lower molar and occlusal plane. It was observed that premature loss of lower second deciduous molar modifies greater the vertical axis of first permanent molar (between 61 degrees and 79 degrees) then premature loss of first lower primary molar. This is perhaps because the loss of space in the case of premature exfoliation of first primary molar is due more to distal drift of canine then mesial drift of molars. The drift to mesial of first permanent molar is more accentuated proportional with the age at which appeared premature loss and so it is loss of leeway space.

  8. Volumetric properties of aqueous solutions of glutaric acid

    Energy Technology Data Exchange (ETDEWEB)

    Ben-Hamo, Meyrav [Department of Chemical Engineering, Ben Gurion University of the Negev, P.O. Box 653, Beer Sheva 84105 (Israel); Apelblat, Alexander [Department of Chemical Engineering, Ben Gurion University of the Negev, P.O. Box 653, Beer Sheva 84105 (Israel)]. E-mail: apelblat@bgu.ac.il; Manzurola, Emanuel [Department of Chemical Engineering, Ben Gurion University of the Negev, P.O. Box 653, Beer Sheva 84105 (Israel)

    2007-07-15

    Densities of aqueous solutions with molalities up to 6 mol . kg{sup -1} were determined at 5 K temperature intervals, from T = 288.15 K to T = 333.15 K. Densities served to evaluate the apparent molar volumes, V {sub 2,{phi}}(m, T), the cubic expansion coefficients, {alpha}(m, T), and the changes of isobaric heat capacities with respect to pressure, ({partial_derivative}C {sub P}/{partial_derivative}P) {sub T,m}. They were qualitatively correlated with the changes in the structure of water when glutaric acid is dissolved in it.

  9. Solubility comparison and partial molar volumes of 1,2-hexanediol before and after end-group modification by methyl oxalyl chloride and ethyl oxalyl monochloride in supercritical CO2

    International Nuclear Information System (INIS)

    Zhao, Lu; Yang, Hai-Jian; Cai, Zhuofu

    2013-01-01

    Highlights: ► Two new “CO 2 -philic” compounds were designed and synthesized. ► The tested solubility data were calculated and correlated with two models. ► Satisfactory agreements were obtained between the tested and calculated data. ► The partial molar volumes V ¯ 2 for three compounds were estimated. - Abstract: Bis(methoxy oxalic)-1,2-haxenediester and bis(ethoxy oxalic)-1,2-haxenediester were synthesized by modifying the end groups of 1,2-hexanediol with methyl oxalyl chloride and ethyl oxalyl monochloride. The solubilities of all three compounds in supercritical carbon dioxide were determined at different conditions of pressures (8.8 to 18.8) MPa and temperatures (313, 333, and 353) K. Then, the solubility data were correlated with the Bartle model and the Chrastil model. The average absolute relative deviation (AARD) for the Bartle model was in the range of (3.89 to 25.46)% which is within a good approximation. The Chrastil model also showed satisfactory agreement and the AARD was in the range of (3.70 to 16.92)%. Furthermore, the partial molar volumes of those compounds were estimated following the theory developed by Kumar and Johnston.

  10. [Hyperthyroidism in molar pregnancy].

    Science.gov (United States)

    Boufettal, H; Mahdoui, S; Noun, M; Hermas, S; Samouh, N

    2014-03-01

    Hyperthyroidism is a rare complication of molar pregnancy. We report a 39-year-old woman who presented a thyrotoxic syndrome accompanying a molar pregnancy. Serum thyroid hormones were elevated and returned to normal level after uterine evacuation of a molar pregnancy. The authors detail the role of thyroid stimulating property of human gonadotropin chorionic hormone and its structural changes during the gestational trophoblastic diseases. These changes give the latter the thyroid stimulating properties and signs of hyperthyroidism. Molar pregnancy may be a cause of hyperthyroidism. The diagnosis of molar pregnancy should be a mention to thyrotoxicosique syndrome in a woman of childbearing age. Copyright © 2013. Published by Elsevier SAS.

  11. SECOND MOLAR UPRIGHTING AFTER PREMATURE LOSS OF MANDIBULAR FIRST PERMANENT MOLAR--CASE REPORT.

    Science.gov (United States)

    Cernei, E R; Mavru, R B; Zetui, Irina Nicoleta

    2015-01-01

    Uprighting a tipped molar by using an uprighting spring is a fundamental orthodontic treatment technique. Following a weak anchorage done only by the anterior teeth the permanent lower second molar will rotate around its center of resistance, and besides the distalizing movement will occur its extrusion. Following the reaction, the mandibular anterior teeth will have a movement of intrusion. All these elements will lead to anterior open bite. Correction of vertical problems has become easier with the advent of mini-implants. U.I patient aged 24 years presenting for aesthetic and functional disorders. Clinical examination reveals intraoral Class I molar malocclusion on the right sight, upper narrowing arch with a slight overbite, and the both permanent first molars on the left side lost prematurely. The tooth 37 is inclined at 600 degrees to the plane of occlusion. To avoid front opening occlusion we used an orthodontic miniscrew inserted between the canine and the first premolar on the same side to achieve the second molar up righting. Lower second molar uprighting was achieved without unwanted movements in anterior mandibular region and without molar extrusion. Using mini implants in uprighting a tipped molar will achieve the desired tooth movement and will reduce the number of unwanted side effects and eventually to improve patient's esthetics.

  12. A molecular dynamics study of ambient and high pressure phases of silica: structure and enthalpy variation with molar volume.

    Science.gov (United States)

    Rajappa, Chitra; Sringeri, S Bhuvaneshwari; Subramanian, Yashonath; Gopalakrishnan, J

    2014-06-28

    Extensive molecular dynamics studies of 13 different silica polymorphs are reported in the isothermal-isobaric ensemble with the Parrinello-Rahman variable shape simulation cell. The van Beest-Kramer-van Santen (BKS) potential is shown to predict lattice parameters for most phases within 2%-3% accuracy, as well as the relative stabilities of different polymorphs in agreement with experiment. Enthalpies of high-density polymorphs - CaCl2-type, α-PbO2-type, and pyrite-type - for which no experimental data are available as yet, are predicted here. Further, the calculated enthalpies exhibit two distinct regimes as a function of molar volume-for low and medium-density polymorphs, it is almost independent of volume, while for high-pressure phases a steep dependence is seen. A detailed analysis indicates that the increased short-range contributions to enthalpy in the high-density phases arise not only from an increased coordination number of silicon but also shorter Si-O bond lengths. Our results indicate that amorphous phases of silica exhibit better optimization of short-range interactions than crystalline phases at the same density while the magnitude of Coulombic contributions is lower in the amorphous phase.

  13. Determination of solute descriptors by chromatographic methods

    International Nuclear Information System (INIS)

    Poole, Colin F.; Atapattu, Sanka N.; Poole, Salwa K.; Bell, Andrea K.

    2009-01-01

    The solvation parameter model is now well established as a useful tool for obtaining quantitative structure-property relationships for chemical, biomedical and environmental processes. The model correlates a free-energy related property of a system to six free-energy derived descriptors describing molecular properties. These molecular descriptors are defined as L (gas-liquid partition coefficient on hexadecane at 298 K), V (McGowan's characteristic volume), E (excess molar refraction), S (dipolarity/polarizability), A (hydrogen-bond acidity), and B (hydrogen-bond basicity). McGowan's characteristic volume is trivially calculated from structure and the excess molar refraction can be calculated for liquids from their refractive index and easily estimated for solids. The remaining four descriptors are derived by experiment using (largely) two-phase partitioning, chromatography, and solubility measurements. In this article, the use of gas chromatography, reversed-phase liquid chromatography, micellar electrokinetic chromatography, and two-phase partitioning for determining solute descriptors is described. A large database of experimental retention factors and partition coefficients is constructed after first applying selection tools to remove unreliable experimental values and an optimized collection of varied compounds with descriptor values suitable for calibrating chromatographic systems is presented. These optimized descriptors are demonstrated to be robust and more suitable than other groups of descriptors characterizing the separation properties of chromatographic systems.

  14. Determination of solute descriptors by chromatographic methods.

    Science.gov (United States)

    Poole, Colin F; Atapattu, Sanka N; Poole, Salwa K; Bell, Andrea K

    2009-10-12

    The solvation parameter model is now well established as a useful tool for obtaining quantitative structure-property relationships for chemical, biomedical and environmental processes. The model correlates a free-energy related property of a system to six free-energy derived descriptors describing molecular properties. These molecular descriptors are defined as L (gas-liquid partition coefficient on hexadecane at 298K), V (McGowan's characteristic volume), E (excess molar refraction), S (dipolarity/polarizability), A (hydrogen-bond acidity), and B (hydrogen-bond basicity). McGowan's characteristic volume is trivially calculated from structure and the excess molar refraction can be calculated for liquids from their refractive index and easily estimated for solids. The remaining four descriptors are derived by experiment using (largely) two-phase partitioning, chromatography, and solubility measurements. In this article, the use of gas chromatography, reversed-phase liquid chromatography, micellar electrokinetic chromatography, and two-phase partitioning for determining solute descriptors is described. A large database of experimental retention factors and partition coefficients is constructed after first applying selection tools to remove unreliable experimental values and an optimized collection of varied compounds with descriptor values suitable for calibrating chromatographic systems is presented. These optimized descriptors are demonstrated to be robust and more suitable than other groups of descriptors characterizing the separation properties of chromatographic systems.

  15. Thermal and volumetric properties of complex aqueous electrolyte solutions using the Pitzer formalism - The PhreeSCALE code

    Science.gov (United States)

    Lach, Adeline; Boulahya, Faïza; André, Laurent; Lassin, Arnault; Azaroual, Mohamed; Serin, Jean-Paul; Cézac, Pierre

    2016-07-01

    The thermal and volumetric properties of complex aqueous solutions are described according to the Pitzer equation, explicitly taking into account the speciation in the aqueous solutions. The thermal properties are the apparent relative molar enthalpy (Lϕ) and the apparent molar heat capacity (Cp,ϕ). The volumetric property is the apparent molar volume (Vϕ). Equations describing these properties are obtained from the temperature or pressure derivatives of the excess Gibbs energy and make it possible to calculate the dilution enthalpy (∆HD), the heat capacity (cp) and the density (ρ) of aqueous solutions up to high concentrations. Their implementation in PHREEQC V.3 (Parkhurst and Appelo, 2013) is described and has led to a new numerical tool, called PhreeSCALE. It was tested first, using a set of parameters (specific interaction parameters and standard properties) from the literature for two binary systems (Na2SO4-H2O and MgSO4-H2O), for the quaternary K-Na-Cl-SO4 system (heat capacity only) and for the Na-K-Ca-Mg-Cl-SO4-HCO3 system (density only). The results obtained with PhreeSCALE are in agreement with the literature data when the same standard solution heat capacity (Cp0) and volume (V0) values are used. For further applications of this improved computation tool, these standard solution properties were calculated independently, using the Helgeson-Kirkham-Flowers (HKF) equations. By using this kind of approach, most of the Pitzer interaction parameters coming from literature become obsolete since they are not coherent with the standard properties calculated according to the HKF formalism. Consequently a new set of interaction parameters must be determined. This approach was successfully applied to the Na2SO4-H2O and MgSO4-H2O binary systems, providing a new set of optimized interaction parameters, consistent with the standard solution properties derived from the HKF equations.

  16. Volumetric studies of some amino acids in aqueous medium at different temperatures

    International Nuclear Information System (INIS)

    Jamal, M.A.; Iqbal, M.

    2011-01-01

    Apparent molar volume (fiV), partial molar volume (V/sup 0), solute-solute interaction parameter (Sv), partial molar expansivity (E/sub 0/) and isobaric thermal expansion co-efficient (a) of twelve amino acids namely, alanine, arginine, asparagine, glutamic acid, glycine, histidine, leucine, lysine HCl, proline, serine, threonine and valine in water have been calculated from the measured solution densities over a temperature range of 283.15 to 313.15 +- 0.01 K. The solution densities were measured by using electronic vibrating tube density meter at 283.15 to 313.15 K and then partial molar volume and expansivity were determined by using least square fit method. Amino acid-water interactions were interpreted in terms of partial molar volume, V/sup 0/ data with particular reference to structural features of solute molecules, such as hydrogen bonding, side group interactions etc. Salvations of amino acids were also described in terms of electrostrictive hydration at the charged ends whereas the intervening part of the molecule was believed to involve less strong interaction with the solvent. The behavior of these parameters has been used to investigate the solute-solute and solute-solvent interactions as well as the effect of temperature on these interactions. (author)

  17. SAMPL5: 3D-RISM partition coefficient calculations with partial molar volume corrections and solute conformational sampling

    Science.gov (United States)

    Luchko, Tyler; Blinov, Nikolay; Limon, Garrett C.; Joyce, Kevin P.; Kovalenko, Andriy

    2016-11-01

    Implicit solvent methods for classical molecular modeling are frequently used to provide fast, physics-based hydration free energies of macromolecules. Less commonly considered is the transferability of these methods to other solvents. The Statistical Assessment of Modeling of Proteins and Ligands 5 (SAMPL5) distribution coefficient dataset and the accompanying explicit solvent partition coefficient reference calculations provide a direct test of solvent model transferability. Here we use the 3D reference interaction site model (3D-RISM) statistical-mechanical solvation theory, with a well tested water model and a new united atom cyclohexane model, to calculate partition coefficients for the SAMPL5 dataset. The cyclohexane model performed well in training and testing (R=0.98 for amino acid neutral side chain analogues) but only if a parameterized solvation free energy correction was used. In contrast, the same protocol, using single solute conformations, performed poorly on the SAMPL5 dataset, obtaining R=0.73 compared to the reference partition coefficients, likely due to the much larger solute sizes. Including solute conformational sampling through molecular dynamics coupled with 3D-RISM (MD/3D-RISM) improved agreement with the reference calculation to R=0.93. Since our initial calculations only considered partition coefficients and not distribution coefficients, solute sampling provided little benefit comparing against experiment, where ionized and tautomer states are more important. Applying a simple pK_{ {a}} correction improved agreement with experiment from R=0.54 to R=0.66, despite a small number of outliers. Better agreement is possible by accounting for tautomers and improving the ionization correction.

  18. SAMPL5: 3D-RISM partition coefficient calculations with partial molar volume corrections and solute conformational sampling.

    Science.gov (United States)

    Luchko, Tyler; Blinov, Nikolay; Limon, Garrett C; Joyce, Kevin P; Kovalenko, Andriy

    2016-11-01

    Implicit solvent methods for classical molecular modeling are frequently used to provide fast, physics-based hydration free energies of macromolecules. Less commonly considered is the transferability of these methods to other solvents. The Statistical Assessment of Modeling of Proteins and Ligands 5 (SAMPL5) distribution coefficient dataset and the accompanying explicit solvent partition coefficient reference calculations provide a direct test of solvent model transferability. Here we use the 3D reference interaction site model (3D-RISM) statistical-mechanical solvation theory, with a well tested water model and a new united atom cyclohexane model, to calculate partition coefficients for the SAMPL5 dataset. The cyclohexane model performed well in training and testing ([Formula: see text] for amino acid neutral side chain analogues) but only if a parameterized solvation free energy correction was used. In contrast, the same protocol, using single solute conformations, performed poorly on the SAMPL5 dataset, obtaining [Formula: see text] compared to the reference partition coefficients, likely due to the much larger solute sizes. Including solute conformational sampling through molecular dynamics coupled with 3D-RISM (MD/3D-RISM) improved agreement with the reference calculation to [Formula: see text]. Since our initial calculations only considered partition coefficients and not distribution coefficients, solute sampling provided little benefit comparing against experiment, where ionized and tautomer states are more important. Applying a simple [Formula: see text] correction improved agreement with experiment from [Formula: see text] to [Formula: see text], despite a small number of outliers. Better agreement is possible by accounting for tautomers and improving the ionization correction.

  19. Solvation behaviour of L-leucine in aqueous ionic liquid at different temperatures: Volumetric approach

    Science.gov (United States)

    Sharma, Samriti; Sandarve, Sharma, Amit K.; Sharma, Meena

    2018-05-01

    For the investigation of interactions of L-leucine in aqueous solutions of an ionic liquid (1-butyl-3-methylimidazolium tetra fluoroborate [Bmim][BF4]) at atmospheric pressure over a temperature range of (293.15K to 313.16K), we use the volumetric approach. By using the density data we have calculated the apparent molar volume, VΦ, limiting apparent molar volume, V0Φ, the slope, Sv, partial molar volume of transfer, V0Φ,tr. The values of these acoustical parameters have been used for the interpretation of different interactions like hydrophilic-hydrophilic, hydrophilic-hydrophobic, ion hydrophilic, solute-solvent and solute-solute interactions in the amino acid and ionic liquid solutions.

  20. Removable molar power arm

    Directory of Open Access Journals (Sweden)

    Raj Kumar Verma

    2013-01-01

    Full Text Available Attachment of force elements from the gingival hook of maxillary molar tubes during the retraction of the anterior teeth is very common in orthodontic practice. As the line of force passes below the center of resistance (CR of molar, it results its mesial tipping and also anchorage loss. To overcome this problem, the line of force should pass along the CR of molar. This article highlights a method to overcome this problem by attaching a removable power arm to the headgear tube of molar tube during the retraction of the anterior teeth.

  1. Using cone beam computed thomography in planning the extraction of impacted third molars

    Directory of Open Access Journals (Sweden)

    Vlahović Zoran

    2016-01-01

    Full Text Available The panoramic radiography is the most used diagnostic imaging method in planning impacted lower third molar extractions. However, often panoramic radiography does not provide enough information in treatment planning for performing safely surgical extraction of impacted third molars. CBCT (Cone beam computed tomography provides more precise information in diagnostic analysis especially for planning surgical procedures where complications can be expected due to close relationship between mandibular canal and lower impacted third molars. The aim of this study is comparative analysis of panoramic radiography and CBCT in evaluating the topographic relationship between mandibular canal and impacted third molars. The study included 50 patients with close relationship between mandibular canal and impacted third molars detected using panoramic radiography. After panoramic radiography analysis CBCT was performed in order to diagnose, plan and prevent complications during the surgical tooth extraction. CBCT examination considered comparative analysis with panoramic radiography, marking, volume rendering and assessment of mandibular canal in buccolingual direction. Out of total patients where suprimposition of mandibular canal and impacted third molar on panoramic radiography was detected, in 32 patients mandibular chanal was localised on lingual side. Mandibular canal was positioned at bucal side in 18 of 50 patients. Results of this research indicate that panoramic radiography can be useful in everyday practice for diagnosis, planning and preparing lower third molar extractions, but in cases where close relationship between mandibular canal and lower third molars is detected CBCT is recommended as more precise radiographic imaging method in order to prevent complications.

  2. Maxillary second molar impaction in the adjacent ectopic third molar: Report of five rare cases

    Science.gov (United States)

    Souki, Bernardo Q.; Cheib, Paula L.; de Brito, Gabriela M.; Pinto, Larissa S. M. C.

    2015-01-01

    Maxillary second molar impaction in the adjacent ectopic third molar is a rare condition that practitioners might face in the field of pediatric dentistry and orthodontics. The early diagnosis and extraction of the adjacent ectopic third molar have been advocated, and prior research has reported a high rate of spontaneous eruption following third molar removal. However, some challenges in the daily practice are that the early diagnosis of this type of tooth impaction is difficult with conventional radiographic examination, and sometimes the early surgical removal of the maxillary third molar must be postponed because of the risks of damaging the second molar. The objective of this study is to report a case series of five young patients with maxillary second molar impaction and to discuss the difficulty of early diagnosis with the conventional radiographic examination, and unpredictability of self-correction. PMID:26321848

  3. Maxillary second molar impaction in the adjacent ectopic third molar: Report of five rare cases

    Directory of Open Access Journals (Sweden)

    Bernardo Q Souki

    2015-01-01

    Full Text Available Maxillary second molar impaction in the adjacent ectopic third molar is a rare condition that practitioners might face in the field of pediatric dentistry and orthodontics. The early diagnosis and extraction of the adjacent ectopic third molar have been advocated, and prior research has reported a high rate of spontaneous eruption following third molar removal. However, some challenges in the daily practice are that the early diagnosis of this type of tooth impaction is difficult with conventional radiographic examination, and sometimes the early surgical removal of the maxillary third molar must be postponed because of the risks of damaging the second molar. The objective of this study is to report a case series of five young patients with maxillary second molar impaction and to discuss the difficulty of early diagnosis with the conventional radiographic examination, and unpredictability of self-correction.

  4. PROPIEDADES VOLUMÉTRICAS DE LA DL-ALANINA EN SOLUCIONES ACUOSAS DE TETRAFLUOROBORATO DE 1-BUTIL, 3-METILIMIDAZOLIO A DIFERENTES TEMPERATURAS

    OpenAIRE

    Páez, Manuel S.; Páez, Francisco J.; Torres, Francisco J.

    2016-01-01

    Densities of DL-alanine in aqueous ionic liquid, 1-butyl, 3-methylimidazolium tetrafluoroborate solutions were measured from 283.15 to 313.15 K. The densities measured were used to calculate apparent molar volumes (VΦ), apparent molar volume limits (VΦ0), transfer molar volume limits (ΔVΦ0) and hydration number (NH). The behavior of (ΔVΦ0) was interpreted in terms of solute-solvent interactions on the basis of the cosphere overlap model. The hydration numbers were positive and explained by de...

  5. Analyzing the effects of instillation volume on intravesical delivery using biphasic solute transport in a deformable geometry.

    Science.gov (United States)

    Smith, Sean G; Griffith, Boyce E; Zaharoff, David A

    2018-04-05

    Ailments of the bladder are often treated via intravesical delivery-direct application of therapeutic into the bladder through a catheter. This technique is employed hundreds of thousands of times every year, but protocol development has largely been limited to empirical determination. Furthermore, the numerical analyses of intravesical delivery performed to date have been restricted to static geometries and have not accounted for bladder deformation. This study uses a finite element analysis approach with biphasic solute transport to investigate several parameters pertinent to intravesical delivery including solute concentration, solute transport properties and instillation volume. The volume of instillation was found to have a substantial impact on the exposure of solute to the deeper muscle layers of the bladder, which are typically more difficult to reach. Indeed, increasing the instillation volume from 50-100 ml raised the muscle solute exposure as a percentage of overall bladder exposure from 60-70% with higher levels achieved for larger instillation volumes. Similar increases were not seen for changes in solute concentration or solute transport properties. These results indicate the role that instillation volume may play in targeting particular layers of the bladder during an intravesical delivery.

  6. The premature loss of primary first molars: space loss to molar occlusal relationships and facial patterns.

    Science.gov (United States)

    Alexander, Stanley A; Askari, Marjan; Lewis, Patricia

    2015-03-01

    To investigate space changes with the premature loss of primary first molars and their relationship to permanent molar occlusion and facial forms. Two hundred twenty-six participants (ranging in age from 7 years 8 months to 8 years 2 months; 135 female, 91 male) met all inclusion criteria designed to study space loss as a result of the premature loss of the primary first molar. After 9 months, space loss was evaluated in relationship to molar occlusion and facial form. Statistical evaluation was performed with the paired t-test and with a two-way analysis of variance for independent groups. Patients with leptoprosopic facial form and end-on molar occlusions all exhibited a statistically significant difference when compared to controls in terms of space loss (P molar occlusion displayed space loss as well (P molar occlusion displayed space loss in the maxilla (P molar occlusions showed no significant difference in space loss. The relationship between the first permanent molar occlusion and facial form of the child has an influence on the loss of space at the primary first molar site.

  7. Densities and volume properties of (water + tert-butanol) over the temperature range of (274.15 to 348.15) K at pressure of 0.1 MPa

    International Nuclear Information System (INIS)

    Egorov, Gennadiy I.; Makarov, Dmitriy M.

    2011-01-01

    The densities of {water (1) + tert-butanol (2)} binary mixture were measured over the temperature range (274.15 to 348.15) K at atmospheric pressure using 'Anton Paar' digital vibrating-tube densimeter. Density measurements were carried out over the whole concentration range at (308.15 to 348.15) K. The following volume parameters were calculated: excess molar volumes and thermal isobaric expansivities of the mixture, partial molar volumes and partial molar thermal isobaric expansivities of the components. Concentration dependences of excess molar volumes were fitted with Redlich-Kister equation. The results of partial molar volume calculations using four equations were compared. It was established that for low alcohol concentrations at T ≤ 208 K the inflection points at x 2 ∼ 0.02 were observed at concentration dependences of specific volume. The concentration dependences of partial molar volumes of both water and tert-butanol had extremes at low alcohol content. The temperature dependence of partial molar volumes of water had some inversion at x 2 ∼ 0.65. The temperature dependence of partial molar volumes of tert-butanol at infinite dilution had minimum at ∼288 K. It was discovered that concentration dependences of thermal isobaric expansivities of the mixture at small alcohol content and low temperatures passed through minimum.

  8. An innovative technique to distalize maxillary molar using microimplant supported rapid molar distalizer

    Directory of Open Access Journals (Sweden)

    Meenu Goel

    2013-01-01

    Full Text Available Introduction: In recent years, enhancements in implants have made their use possible as a mode of absolute anchorage in orthodontic patients. In this paper, the authors have introduced an innovative technique to unilaterally distalize the upper left 1 st molar to obtain an ideal Class I molar relationship from a Class II existing molar relationship with an indigenous designed distalizer. Clinical Innovation: For effective unilateral diatalization of molar, a novel cantilever sliding jig assembly was utilized with coil spring supported by a buccally placed single micro implant. The results showed 3 mm of bodily distalization with 1 mm of intrusion and 2° of distal tipping of upper left 1 st molar in 1.5 months. Discussion: This appliance is relatively easy to insert, well-tolerated, and requires minimal patient cooperation compared to other present techniques of molar distalization. Moreover, it is particularly useful in cases that are Class II on one side and Class I on the other, with a minor midline discrepancy and nominal overjet. Patient acceptance level was reported to be within patients physiological and comfort limits.

  9. Are Hypomineralized Primary Molars and Canines Associated with Molar-Incisor Hypomineralization?

    Science.gov (United States)

    da Silva Figueiredo Sé, Maria Jose; Ribeiro, Ana Paula Dias; Dos Santos-Pinto, Lourdes Aparecida Martins; de Cassia Loiola Cordeiro, Rita; Cabral, Renata Nunes; Leal, Soraya Coelho

    2017-11-01

    The purpose of this study was to evaluate the prevalence of and relationship between hypomineralized second primary molars (HSPM) and hypomineralized primary canines (HPC) with molar-incisor hypomineralization (MIH) in 1,963 schoolchildren. The European Academy of Paediatric Dentistry (EAPD) criterion was used for scoring HSPM/HPC and MIH. Only children with four permanent first molars and eight incisors were considered in calculating MIH prevalence (n equals 858); for HSPM/HPC prevalence, only children with four primary second molars (n equals 1,590) and four primary canines (n equals 1,442) were considered. To evaluate the relationship between MIH/HSPM, only children meeting both criteria cited were considered (n equals 534), as was true of MIH/HPC (n equals 408) and HSPM/HPC (n equals 360; chi-square test and logistic regression). The prevalence of MIH was 14.69 percent (126 of 858 children). For HSPM and HPC, the prevalence was 6.48 percent (103 of 1,592) and 2.22 percent (32 of 1,442), respectively. A significant relationship was observed between MIH and both HSPM/HPC (PMIH based on HSPM was 6.31 (95 percent confidence interval [CI] equals 2.59 to 15.13) and for HPC was 6.02 (95 percent CI equals 1.08 to 33.05). The results led to the conclusion that both hypomineralized second primary molars and hypomineralized primary canines are associated with molar-incisor hypomineralization, because children with HSPM/HPC are six times more likely to develop MIH.

  10. Volume-weighted particle-tracking method for solute-transport modeling; Implementation in MODFLOW–GWT

    Science.gov (United States)

    Winston, Richard B.; Konikow, Leonard F.; Hornberger, George Z.

    2018-02-16

    In the traditional method of characteristics for groundwater solute-transport models, advective transport is represented by moving particles that track concentration. This approach can lead to global mass-balance problems because in models of aquifers having complex boundary conditions and heterogeneous properties, particles can originate in cells having different pore volumes and (or) be introduced (or removed) at cells representing fluid sources (or sinks) of varying strengths. Use of volume-weighted particles means that each particle tracks solute mass. In source or sink cells, the changes in particle weights will match the volume of water added or removed through external fluxes. This enables the new method to conserve mass in source or sink cells as well as globally. This approach also leads to potential efficiencies by allowing the number of particles per cell to vary spatially—using more particles where concentration gradients are high and fewer where gradients are low. The approach also eliminates the need for the model user to have to distinguish between “weak” and “strong” fluid source (or sink) cells. The new model determines whether solute mass added by fluid sources in a cell should be represented by (1) new particles having weights representing appropriate fractions of the volume of water added by the source, or (2) distributing the solute mass added over all particles already in the source cell. The first option is more appropriate for the condition of a strong source; the latter option is more appropriate for a weak source. At sinks, decisions whether or not to remove a particle are replaced by a reduction in particle weight in proportion to the volume of water removed. A number of test cases demonstrate that the new method works well and conserves mass. The method is incorporated into a new version of the U.S. Geological Survey’s MODFLOW–GWT solute-transport model.

  11. Use of ultrasound for gastric volume evaluation after ingestion of different volumes of isotonic solution

    Directory of Open Access Journals (Sweden)

    Flora Margarida Barra Bisinotto

    2017-07-01

    Full Text Available Background and objectives: The current preoperative fasting guidelines allow fluid intake up to 2 h before surgery. The aim of this study was to evaluate the gastric volume of volunteers after an overnight fast and compare it with the gastric volume 2 h after ingestion of 200 and 500 mL of isotonic solution, by means of ultrasound assessment. Method: Eighty volunteers underwent gastric ultrasound at three times: after 8 h of fasting; 2 h after ingestion of 200 mL isotonic saline, followed by the first scan; and on another day, 2 h after ingestion of 500 mL of the same solution after an overnight fast. The evaluation was quantitative (antrum area and gastric volume, and the ratio of participants’ gastric volume/weight and qualitative (absence or presence of gastric contents on right lateral decubitus and supine positions. A p-value  0.05. Five volunteers (6.25% had a volume/weight over 1.5 mL kg−1 at fasting and 2 h after ingestion of 200 mL and 6 (7.5% after 500 mL. Qualitatively, the presence of gastric fluid occurred in more volunteers after fluid ingestion, especially 500 mL (18.7%, although not statistically significant. Conclusion: Ultrasound assessment of gastric volume showed no significant difference, both qualitative and quantitative, 2 h after ingestion of 200 mL or 500 mL of isotonic solution compared to fasting, although gastric fluid content has been identified in more volunteers, especially after ingestion of 500 mL isotonic solution. Resumo: Justificativa e objetivos: As diretrizes recentes de jejum pré-operatório permitem a ingestão de líquidos até 2 horas antes da cirurgia. O objetivo do presente estudo foi, por meio de ultrassonografia gástrica, avaliar o volume gástrico de voluntários após jejum noturno e comparar com o volume gástrico duas horas após a ingestão de 200 e 500 ml de solução isotônica. Método: Foram submetidos à ultrassonografia gástrica 80 voluntários em três momentos

  12. Mini implant supported molar tubes: A novel method for attaching the molar tubes

    Directory of Open Access Journals (Sweden)

    Nitin V Muralidhar

    2017-01-01

    Full Text Available Banding or bonding procedures have been the only means of attaching molar tubes onto the permanent molar teeth till date in the field of orthodontics. This clinical innovation aims to include the use of mini implant for the purpose of attaching the molar tubes thereby eliminating the iatrogenic effects of banding and bonding of the teeth.

  13. Isotope effects in aqueous systems. Excess thermodynamic properties of 1,3-dimethylurea solutions in H2O and D2O

    International Nuclear Information System (INIS)

    Jakli, G.; Hook, W.A. Van

    1997-01-01

    The osmotic coefficients of 1,3-dimethylurea-h 2 (DMUh 2 )/H 2 O and 1,3-dimethylurea-d 2 (DMUd 2 )/D 2 O solutions (1, 2, 4, 12, and 20 m aq , 15 < t/degree C < 80) were obtained from differential vapor pressure measurements. Excess partial molar free energies, enthalpies, and entropies for the solvent and their isotope effects were calculated from the temperature derivatives of the osmotic coefficients. New partial molar volume data are reported at 25 C at low and intermediate concentrations. The thermodynamic properties of solution are compared with those of urea and discussed using the cage model of hydrophobic hydration. The results support the mixed (polar-apolar) character of this compound and show that its structural effect on water changes with temperature and concentration

  14. Molar mass, radius of gyration and second virial coefficient from new static light scattering equations for dilute solutions: application to 21 (macro)molecules.

    Science.gov (United States)

    Illien, Bertrand; Ying, Ruifeng

    2009-05-11

    New static light scattering (SLS) equations for dilute binary solutions are derived. Contrarily to the usual SLS equations [Carr-Zimm (CZ)], the new equations have no need for the experimental absolute Rayleigh ratio of a reference liquid and solely rely on the ratio of scattered intensities of solutions and solvent. The new equations, which are based on polarizability equations, take into account the usual refractive index increment partial differential n/partial differential rho(2) complemented by the solvent specific polarizability and a term proportional to the slope of the solution density rho versus the solute mass concentration rho(2) (density increment). Then all the equations are applied to 21 (macro)molecules with a wide range of molar mass (0.2equations clearly achieve a better agreement with supplier M values. For macromolecules (M>500 kg mol(-1)), for which the scattered intensity is no longer independent of the scattering angle, the new equations give the same value of the radius of gyration as the CZ equation and consistent values of the second virial coefficient.

  15. Studies on volumetric properties of some saccharides in aqueous potassium chloride solutions over temperature range (288.15 to 318.15) K

    Energy Technology Data Exchange (ETDEWEB)

    Banipal, Parampaul K. [Department of Chemistry, Guru Nanak Dev University, Amritsar 143 005 (India)], E-mail: pkbanipal@yahoo.com; Chahal, Amanpreet K. [Department of Chemistry, Guru Nanak Dev University, Amritsar 143 005 (India); Banipal, Tarlok S. [Department of Applied Chemistry, Guru Nanak Dev University, Amritsar 143 005 (India)

    2009-04-15

    The standard partial molar volumes, V{sub 2}{sup {infinity}} at infinite dilution of monosaccharides; D(+)-xylose, D(-)-arabinose, D(-)-ribose, D(+)-mannose, D(+)-galactose, D(-)-fructose and D(+)-glucose, disaccharides; D(+)-melibiose, D(+)-cellobiose, D(+)-maltose monohydrate, D(+)-trehalose dihydrate, D(+)-lactose monohydrate and sucrose, trisaccharide; D(+)-raffinose pentahydrate, methylglycosides; {alpha}-methyl-D(+)-glucoside, methyl-{alpha}-D-xylopyranoside and methyl-{beta}-D-xylopyranoside have been determined in water and in aqueous solutions of potassium chloride (0.5, 1.0, 2.0, and 3.0) mol . kg{sup -1} at T = (288.15, 298.15, 308.15, and 318.15) K from density measurements employing a vibrating-tube densimeter. These results have been utilized to determine the corresponding standard partial molar volumes of transfer, {delta}{sub t}V{sub 2}{sup {infinity}} for the transfer of various saccharides from water to aqueous potassium chloride solutions. The standard transfer volumes have been found to be positive (except for {alpha}- and {beta}-methyl xylopyranosides in 0.5 mol . kg{sup -1} solutions of potassium chloride) whose magnitude increase with the concentration of potassium chloride as well as temperature for all the saccharides. Partial molar expansion coefficients, ({partial_derivative}V{sub 2}{sup {infinity}}/{partial_derivative}T){sub p} and the second derivative ({partial_derivative}{sup 2}V{sub 2}{sup {infinity}}/{partial_derivative}T{sup 2}){sub p} values have been estimated. Pair and higher order volumetric interaction coefficients have also been calculated from {delta}{sub t}V{sub 2}{sup {infinity}} by using the McMillan-Mayer theory. These parameters have been discussed in terms of the solute-cosolute interactions and are used to understand various mixing effects due to these interactions. The effect of substitution of -OH by glycosidic group, -OCH{sub 3} is also discussed. Attempt has also been made to discuss the stereochemical effects

  16. Concentration Dependences of the Surface Tension and Density of Solutions of Acetone-Ethanol-Water Systems at 293 K

    Science.gov (United States)

    Dadashev, R. Kh.; Dzhambulatov, R. S.; Mezhidov, V. Kh.; Elimkhanov, D. Z.

    2018-05-01

    Concentration dependences of the surface tension and density of solutions of three-component acetone-ethanol-water systems and the bounding binary systems at 273 K are studied. The molar volume, adsorption, and composition of surface layers are calculated. Experimental data and calculations show that three-component solutions are close to ideal ones. The surface tensions of these solutions are calculated using semi-empirical and theoretical equations. Theoretical equations qualitatively convey the concentration dependence of surface tension. A semi-empirical method based on the Köhler equation allows us to predict the concentration dependence of surface tension within the experimental error.

  17. A free-volume modification of GEM-QC to correlate VLE and LLE in polymer solutions

    International Nuclear Information System (INIS)

    Radfarnia, H.R.; Taghikhani, V.; Ghotbi, C.; Khoshkbarchi, M.K.

    2004-01-01

    The generalized quasi-chemical (GEM-QC) model proposed by Wang and Vera is modified to correlate better the phase equilibrium and to overcome the shortcoming of the original model to predict the lower critical solution temperature (LCST) of binary polymer solutions. This shortcoming is mainly because the GEM-QC model does not consider the effect of free-volume, which is important in systems containing molecules with large size differences. The proposed modification is based on replacing the combinatorial term of the GEM-QC model by a term proposed by Kontogerogis et al., which includes the effect of the free-volume. The main advantage of the free volume generalized quasi-chemical (GEM-QC-FV) model over the original GEM-QC is its ability to predict the phase behaviour of binary polymer solutions with LCST behaviour. In addition, the free volume UNIQUAC (UNIQUAC-FV) model is used to correlate VLE and LLE experimental data for binary polymer solutions. The comparison of the results obtained from the GEM-QC-FV model and the UNIQUAC-FV model shows the superiority of the GEM-QC-FV model in correlating the VLE and LLE experimental data for binary polymer solutions

  18. The salting-out effect and phase separation in aqueous solutions of tri-sodium citrate and 1-butyl-3-methylimidazolium bromide

    Energy Technology Data Exchange (ETDEWEB)

    Sadeghi, Rahmat, E-mail: rsadeghi@uok.ac.i [Department of Chemistry, University of Kurdistan, Sanandaj (Iran, Islamic Republic of); Golabiazar, Roonak [Department of Chemistry, University of Kurdistan, Sanandaj (Iran, Islamic Republic of); Shekaari, Hemayat [Department of Chemistry, Faculty of Science, University of Mohaghegh Ardabili, Ardabil (Iran, Islamic Republic of)

    2010-04-15

    The aim of this work is to obtain further evidence about the salting-out effect produced by the addition of tri-sodium citrate to aqueous solutions of water miscible ionic liquid 1-butyl-3-methylimidazolium bromide ([C{sub 4}mim][Br]) by evaluating the effect of tri-sodium citrate on the thermodynamic properties of aqueous solutions of this ionic liquid. Experimental measurements of density and sound velocity at different temperatures ranging from (288.15 to 308.15) K, the refractive index at 308.15 K and the liquid-liquid phase diagram at different temperatures ranging from (288.15 to 338.15) K for aqueous solutions containing 1-butyl-3-methylimidazolium bromide ([C{sub 4}mim][Br]) and tri-sodium citrate (Na{sub 3}Cit) are taken. The apparent molar volume of transfer of [C{sub 4}mim][Br] from water to aqueous solutions of Na{sub 3}Cit have positive values and it increases by increasing salt molality. Although at high IL molality, the apparent molar isentropic compressibility shows similar behaviour with that of the apparent molar volume. However at low concentrations of IL, the apparent molar isentropic compressibility of transfer of [C{sub 4}mim][Br] from water to aqueous solutions of Na{sub 3}Cit have negative values. The effects of temperature and the addition of Na{sub 3}Cit and [C{sub 4}mim][Br] on the liquid-liquid phase diagram of the investigated system have been studied. It was found that an increase in temperature caused the expansion of the one-phase region. The presence of Na{sub 3}Cit triggers a salting-out effect, leading to significant upward shifts of the liquid-liquid de-mixing temperatures of the system. The effect of temperature on the phase-forming ability in the system investigated has been studied based on a salting-out coefficient obtained from fitting the binodal values to a Setschenow-type equation for each temperature. Based on cloud point values, the energetics of the clouding process have been estimated and it was found that both of

  19. Adiabatic compressibility of pseudo-binary aqueous solutions of tert-butyl alcohol and dimethylsulfoxide as a result of ultrasonic investigations

    International Nuclear Information System (INIS)

    Miecznik, Piotr; Kaczmarek, Milena

    2006-01-01

    The tert-butyl alcohol (TBA) and dimethyl sulfoxide (DMSO) are two small molecules geometrically very similar, but having different polar groups. Taking into account the intermolecular interactions in the TBA/H 2 O and DMSO/H 2 O systems, especially in the water-rich region of concentration, the ultrasonic speeds (high accuracy resonance method at the frequency 7.5 MHz) and densities in pseudo-binary mixtures of the system: (TBA + H 2 O + DMSO) with the ratio (TBA + DMSO)/H 2 O = 1/25 have been measured. From these data, various thermodynamical parameters such as adiabatic compressibility, molar volume, thermal expansivity, and the deviation from reference system have been calculated. In addition, the isobaric molar heat capacity to convert adiabatic compressibility to the isothermal one has been measured. All these parameters have been discussed to explain solute-solvent and solute-solute interactions, especially the effect of the complexation process between TBA and DMSO molecules. The composition dependence of these deviations functions was interpreted in the light of the mixing schemes in the aqueous solutions of TBA and DMSO

  20. Adiabatic compressibility of pseudo-binary aqueous solutions of tert-butyl alcohol and dimethylsulfoxide as a result of ultrasonic investigations

    Energy Technology Data Exchange (ETDEWEB)

    Miecznik, Piotr [Institute of Acoustics, Adam Mickiewicz University, Umultowska 85, PL-61-614 Poznan (Poland)]. E-mail: miecznik@main.amu.edu.pl; Kaczmarek, Milena [Institute of Acoustics, Adam Mickiewicz University, Umultowska 85, PL-61-614 Poznan (Poland)

    2006-11-15

    The tert-butyl alcohol (TBA) and dimethyl sulfoxide (DMSO) are two small molecules geometrically very similar, but having different polar groups. Taking into account the intermolecular interactions in the TBA/H{sub 2}O and DMSO/H{sub 2}O systems, especially in the water-rich region of concentration, the ultrasonic speeds (high accuracy resonance method at the frequency 7.5 MHz) and densities in pseudo-binary mixtures of the system: (TBA + H{sub 2}O + DMSO) with the ratio (TBA + DMSO)/H{sub 2}O = 1/25 have been measured. From these data, various thermodynamical parameters such as adiabatic compressibility, molar volume, thermal expansivity, and the deviation from reference system have been calculated. In addition, the isobaric molar heat capacity to convert adiabatic compressibility to the isothermal one has been measured. All these parameters have been discussed to explain solute-solvent and solute-solute interactions, especially the effect of the complexation process between TBA and DMSO molecules. The composition dependence of these deviations functions was interpreted in the light of the mixing schemes in the aqueous solutions of TBA and DMSO.

  1. PROPIEDADES VOLUMÉTRICAS DE LA DL-ALANINA EN SOLUCIONES ACUOSAS DE TETRAFLUOROBORATO DE 1-BUTIL, 3-METILIMIDAZOLIO A DIFERENTES TEMPERATURAS

    Directory of Open Access Journals (Sweden)

    Manuel S. Páez

    2016-06-01

    Full Text Available Densities of DL-alanine in aqueous ionic liquid, 1-butyl, 3-methylimidazolium tetrafluoroborate solutions were measured from 283.15 to 313.15 K. The densities measured were used to calculate apparent molar volumes (VΦ, apparent molar volume limits (VΦ0, transfer molar volume limits (ΔVΦ0 and hydration number (NH. The behavior of (ΔVΦ0 was interpreted in terms of solute-solvent interactions on the basis of the cosphere overlap model. The hydration numbers were positive and explained by dehydration and electrostriction.

  2. Volumetric properties of MES, MOPS, MOPSO, and MOBS in water and in aqueous electrolyte solutions

    International Nuclear Information System (INIS)

    Taha, Mohamed; Lee, Ming-Jer

    2010-01-01

    4-Morpholineethanesulfonic acid (MES), 4-morpholinepropanesulfonic acid (MOPS), 3-morpholino-2-hydroxypropanesulfonic acid (MOPSO), and 4-(N-morpholino)butanesulfonic acid (MOBS), are useful for pH control as standard buffers in the physiological region of 5.5-6.7 for MES, 6.5-7.9 for MOPS, 6.2-7.6 for MOPSO, and 6.9-8.3 for MOBS, respectively. On the basis of density measurements at 298.15 K, the apparent molar volumes, V φ , of the above-mentioned buffers in water and in (0.05, 0.16, and 0.25) mol kg -1 aqueous solutions of NaCl, KCl, KBr, and CH 3 COOK have been calculated. The partial molar volumes at infinite dilution, V φ o , obtained from V φ , have been used to calculate the volume of transfer, Δ tr V φ o , from water to aqueous electrolyte solutions. It was found that both V φ o and Δ tr V φ o vary linearly with increasing the number of carbon atoms in the alkyl group side chain of the zwitterionic buffers. These linear correlations have been utilized to estimate the contributions of the zwitterionic end group (morpholinium ion, -SO 3 - ) and -CH 2 - group to V φ o and Δ tr V φ o . The values of V φ o and Δ tr V φ o for some functional group contributions of the zwittierionic buffers with salts have also been reported.

  3. A combined experimental and computational investigation of excess molar enthalpies of (nitrobenzene + alkanol) mixtures

    International Nuclear Information System (INIS)

    Neyband, Razieh Sadat; Zarei, Hosseinali

    2015-01-01

    Highlights: • Excess molar enthalpies for the binary mixtures of nitrobenzene + alkanols mixtures were measured. • The infinite dilution excess partial molar enthalpies were calculated using the ab initio methods. • The PCM calculations were performed. • The computed excess partial molar enthalpies at infinite dilution were compared to experimental results. - Abstract: Excess molar enthalpies (H m E ) for the binary mixtures of {(nitrobenzene + ethanol), 1-propanol, 2-propanol, 1-butanol and 2-butanol} have been measured over the entire composition range at ambient pressure (81.5 kPa) and temperature 298 K using a Parr 1455 solution calorimeter. From the experimental results, the excess partial molar enthalpies (H i E ) and excess partial molar enthalpies at infinite dilution (H i E,∞ ) were calculated. The excess molar enthalpies (H m E ) are positive for all {nitrobenzene (1) + alkanol (2)} mixtures over the entire composition range. A state-of-the-art computational strategy for the evaluation of excess partial molar enthalpies at infinite dilution was followed at the M05-2X/6-311++G ∗∗ level of theory with the PCM model. The experimental excess partial molar enthalpies at infinite dilution have been compared to the computational data of the ab initio in liquid phase. Integrated experimental and computational results help to clarify the nature of the intermolecular interactions in {nitrobenzene (1) + alkanol (2)} mixtures. The experimental and computational work which was done in this study complements and extends the general research on the computation of excess partial molar enthalpy at infinite dilution of binary mixtures

  4. MMP20 Overexpression Disrupts Molar Ameloblast Polarity and Migration.

    Science.gov (United States)

    Shin, M; Chavez, M B; Ikeda, A; Foster, B L; Bartlett, J D

    2018-02-01

    Ameloblasts responsible for enamel formation express matrix metalloproteinase 20 (MMP20), an enzyme that cleaves enamel matrix proteins, including amelogenin (AMELX) and ameloblastin (AMBN). Previously, we showed that continuously erupting incisors from transgenic mice overexpressing active MMP20 had a massive cell infiltrate present within their enamel space, leading to enamel mineralization defects. However, effects of MMP20 overexpression on mouse molars were not analyzed, although these teeth more accurately represent human odontogenesis. Therefore, MMP20-overexpressing mice ( Mmp20 +/+ Tg + ) were assessed by multiscale analyses, combining several approaches from high-resolution micro-computed tomography to enamel organ immunoblots. During the secretory stage at postnatal day 6 (P6), Mmp20 +/+ Tg + mice had a discontinuous ameloblast layer and, unlike incisors, molar P12 maturation stage ameloblasts abnormally migrated away from the enamel layer into the stratum intermedium/stellate reticulum. TOPflash assays performed in vitro demonstrated that MMP20 expression promoted β-catenin nuclear localization and that MMP20 expression promoted invasion through Matrigel-coated filters. However, for both assays, significant differences were eliminated in the presence of the β-catenin inhibitor ICG-001. This suggests that MMP20 activity promotes cell migration via the Wnt pathway. In vivo, the unique molar migration of amelogenin-expressing ameloblasts was associated with abnormal deposition of ectopic calcified nodules surrounding the adherent enamel layer. Enamel content was assessed just prior to eruption at P15. Compared to wild-type, Mmp20 +/+ Tg + molars exhibited significant reductions in enamel thickness (70%), volume (60%), and mineral density (40%), and MMP20 overexpression resulted in premature cleavage of AMBN, which likely contributed to the severe defects in enamel mineralization. In addition, Mmp20 +/+ Tg + mouse molar enamel organs had increased levels

  5. The Partial Molar Volume and Compressibility of the FeO Component in Model Basalts (Mixed CaAl2Si2O8-CaMgSi2O6-CaFeSi2O6 Liquids) at 0 GPa: evidence of Fe2+ in 6-fold coordination

    Science.gov (United States)

    Guo, X.; Lange, R. A.; Ai, Y.

    2010-12-01

    FeO is an important component in magmatic liquids and yet its partial molar volume at one bar is not as well known as that for Fe2O3 because of the difficulty of performing double-bob density measurements under reducing conditions. Moreover, there is growing evidence from spectroscopic studies that Fe2+ occurs in 4, 5, and 6-fold coordination in silicate melts, and it is expected that the partial molar volume and compressibility of the FeO component will vary accordingly. We have conducted both density and relaxed sound speed measurements on four liquids in the An-Di-Hd (CaAl2Si2O8-CaMgSi2O6-CaFeSi2O6) system: (1) Di-Hd (50:50), (2) An-Hd (50:50), (3) An-Di-Hd (33:33:33) and (4) Hd (100). Densities were measured between 1573 and 1838 K at one bar with the double-bob Archimedean method using molybdenum bobs and crucibles in a reducing gas (1%CO-99%Ar) environment. The sound speeds were measured under similar conditions with a frequency-sweep acoustic interferometer, and used to calculate isothermal compressibility. All the density data for the three multi-component (model basalt) liquids were combined with density data on SiO2-Al2O3-CaO-MgO-K2O-Na2O liquids (Lange, 1997) in a fit to a linear volume equation; the results lead to a partial molar volume (±1σ) for FeO =11.7 ± 0.3(±1σ) cm3/mol at 1723 K. This value is similar to that for crystalline FeO at 298 K (halite structure; 12.06 cm3/mol), which suggests an average Fe2+ coordination of ~6 in these model basalt compositions. In contrast, the fitted partial molar volume of FeO in pure hedenbergite liquid is 14.6 ± 0.3 at 1723 K, which is consistent with an average Fe2+ coordination of 4.3 derived from EXAFS spectroscopy (Rossano, 2000). Similarly, all the compressibility data for the three multi-component liquids were combined with compressibility data on SiO2-Al2O3-CaO-MgO liquids (Ai and Lange, 2008) in a fit to an ideal mixing model for melt compressibility; the results lead to a partial molar

  6. Extrações de molares na Ortodontia Molar extractions in orthodontics

    Directory of Open Access Journals (Sweden)

    Marco Antônio Schroeder

    2011-12-01

    Full Text Available O tratamento ortodôntico com extração de molares em pacientes adultos é tecnicamente mais complexo, devido a inúmeros fatores. Em geral, o espaço a ser fechado é maior do que o espaço dos pré-molares e, por isso, a ancoragem é crítica e o tempo de tratamento mais longo. É comum esses casos apresentarem algum grau de comprometimento periodontal por causa da idade dos pacientes e, portanto, necessitam de maior controle da mecânica ortodôntica para reduzir os efeitos colaterais do fechamento do espaço. Por isso, bons resultados de finalização são mais difíceis de ser alcançados. Sendo assim, este artigo tem como objetivo apresentar as razões para a indicação de extração de molares nos tratamentos ortodônticos, as contraindicações, as diferentes fases da mecânica ortodôntica, esclarecer os fatores envolvidos nesse tipo de planejamento e tratamento e apresentar casos clínicos tratados com extração de molares.Orthodontic treatment with extraction of molars in adult patients is technically more complex due to a number of factors. In general, the space to be closed is greater than premolar spaces rendering critical anchorage and longer treatment time. Often such cases exhibit some degree of periodontal involvement due to patient age. Hence, the need for greater control over orthodontic mechanics to reduce the side effects of space closure. Therefore, good finishing results can be more difficult to achieve. Thus, the purpose of this article is to determine the reasons for molar extraction indications, describe different stages of orthodontic mechanics, and explain the issues involved in this kind of planning and treatment. Additionally, it aims at describing some treatments with molar extractions.

  7. Non-covalent interactions between {N,N′-bis[(2-pyridinyl)methylene]-1, 2-benzenediamine]-bis(nitrato)}Cu(II) with pyridoxine hydrochloride in methanol at T = (298.15, 308.15 and 318.15) K

    International Nuclear Information System (INIS)

    Brahman, Dhiraj; Sinha, Biswajit

    2014-01-01

    Highlights: • Methanolic solution of pyridoxine hydrochloride used as solvent. • {N,N′-bis[(2-pyridinyl)methylene]-1, 2-benzenediamine]-bis(nitrato)}Cu(II) used as solute. • Partial molar volumes and viscosity B-coefficients of the solute were determined. • Weak 1:1 association between the complex and pyridoxine hydrochloride found. • Non-covalent interactions and Cu(II) complex acts as a net structure maker in the ternary solutions. - Abstract: Non-covalent interactions between of {N,N′-bis[(2-pyridinyl)methylene]-1, 2-benzenediamine]-bis(nitrato)}Cu(II) with pyridoxine hydrochloride in methanol were investigated by a combination of physico-chemical and spectrophotometric methods at T = (298.15, 308.15 and 318.15) K under ambient pressure. From measured density and viscosity data the apparent molar volume (ϕ V ), the slope (S V ∗ ), standard partial molar volume (ϕ V 0 ), standard transfer volume (Δ t ϕ V 0 ), isobaric apparent molar expansibility (ϕ E ), standard isobaric partial molar expansibility (ϕ E 0 ), the viscosity B-coefficient, its temperature derivative (∂B/∂T), solvation number (S n ) were calculated and discussed on the basis of specific or non-specific (solute + cosolute) and (solute + solvent) interactions. Thermodynamics of viscous flow were discussed on the basis of the transition state theory. Spectrophotometric results indicated 1:1 (solute + cosolute) interaction between the complex and pyridoxine hydrochloride

  8. Effect of solution volume covariation on the growth mechanism of Au nanorods using the seed-mediated method

    International Nuclear Information System (INIS)

    Ma, Xiao; Wang, Moo-Chin; Feng, Jinyang; Zhao, Xiujian

    2015-01-01

    The effect of solution volume covariation on the growth mechanism of Au nanorods synthesized using a seed-mediated method was studied. The results from the ultraviolet–visible absorption spectra of gold nanorods (GNRs) revealed that the transverse surface plasmon resonance was ∼550 nm for all GNR samples synthesized in various total volumes of growth solutions. The wavelength of longitudinal surface plasmon resonance of GNRs increased from 757 to 915 nm, with the total volume of growth solution being raised from 10 to 320 ml. Moreover, the calculated aspect ratio (AR) also increased from 3.55 to 5.21 while the total volume of growth solution increased from 10 to 320 ml. Transmission electron microscopy microstructures showed that the growth mechanism of GNRs along 〈1 0 0〉 is in accordance with the hypothesis that the ratio of the number of monodispersed Au atoms existing in the growth solution to the number of seeds explain the behavior of Au atoms deposited on the nanorods with respect to all of the constituent concentrations in the growth solution on the AR of GNRs

  9. Liquid Densities and Excess Molar Volumes for Water + Diethylene Glycolamine, and Water, Methanol, Ethanol, 1-Propanol + Triethylene Glycol Binary Systems at Atmospheric Pressure and Temperatures in the Range of 283.15ů363.15 K

    Czech Academy of Sciences Publication Activity Database

    Valtz, A.; Teodorescu, M.; Wichterle, Ivan; Richon, D.

    2004-01-01

    Roč. 215, č. 2 (2004), s. 129-142 ISSN 0378-3812 R&D Projects: GA ČR GA104/03/1555 Institutional research plan: CEZ:AV0Z4072921 Keywords : excess molar volume * density * triethylene glycol Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.356, year: 2004

  10. Molar development in sheep: morphology, radiography, microhardness

    International Nuclear Information System (INIS)

    Milhaud, G.; Nezit, J.

    1991-01-01

    The chronology of molar development is studied from radiographic and macroscopic observations on 48 south Pre-Alps were living under optimal nutritional conditions. It was found that the first molar started its development in utero, the second molar at one month after birth, and the third molar, at 9-10 months. The first molar emerged into the oral cavity at 3 months, the second at 9 months and the third molar at 18 months. The first molar began the development of its roots at 6-7 months, the second molar at 11-12 months and the third molar at 20-22 months. The first molar reached completion of the growth of its roots at 3.5-4 years, the second and the third molars at about 6 years. The molars show the particularity of being functional during the three months which follow their eruption although the development of the crown is not completed. Then the accelerated wear is only partially compensated by the growth of the roots. The study also shows how the combined effects of wear and dentine deposit in the pulp cavity affect the morphology of molars. It reveals the marked hardness of enamel (240 Vickers units) and the low resistance of dentine at the surface of attrition (30 Vickers units)

  11. Investigation on molecular interactions of antibiotics in alcohols using volumetric and acoustic studies at different temperatures

    International Nuclear Information System (INIS)

    Naseem, Bushra; Iftikhar, Madeeha

    2017-01-01

    Highlights: • Antibiotics in different alcohols are used to study their interactions in solutions. • Density and sound velocity for antibiotic solutions are measured at different temperatures. • Apparent molar volume and isentropic compressibility are used to calculate partial molar quantities. • Acoustical parameters are calculated and discussed in terms of solute–solute and solute–solvent interactions. - Abstract: The density and sound velocity for pure alcohols (methanol, ethanol, iso-propanol and n-butanol) and molal solutions of nitroimidazoles (metronidazole (MNZ) and dimetridazole (DMZ) have been measured at different temperatures (293.15–313.15 K). Different volumetric and acoustical parameters like apparent molar volume (V ϕ ), partial molar volume (VЛљ ϕ ), apparent molar isentropic compressibility (K ϕ ), partial molar isentropic compressibility (KЛљ ϕ ), hydration number (n H ), acoustic impedance (Z) and intermolecular free length (L f ) of antibiotic solutions were calculated from the experimental values of density and sound velocity. The derived values have been used to explore the solute–solute and solute–solvent interactions. The V ϕ values are positive and K ϕ values are negative in both antibiotics, indicative of strong solute–solvent interactions and closely packed structure of antibiotics in alcohols. The decreasing trend of L f with increasing antibiotic concentration shows the presence of strong intermolecular interactions in solutions.

  12. Osmotic and apparent molar properties of binary mixtures alcohol+1-butyl-3-methylimidazolium trifluoromethanesulfonate ionic liquid

    OpenAIRE

    Emilio Gomez; Noelia Simón; Ángeles Domínguez; Maria Eugénia Macedo

    2013-01-01

    In this work, physical properties (densities and speeds of sound) for the binary systems {1-propanol, or 2-propanol, or 1-butanol, or 2-butanol, or 1-pentanol + 1-butyl-3-methylimidazolium trifluoromethanesulfonate} were experimentally measured from T = (293.15 to 323.15) K and at atmospheric pressure. These data were used to calculate the apparent molar volume and apparent molar isentropic compression which were fitted to a Redlich-Meyer type equation. This fit was used to obtain the corresp...

  13. Thermophysical properties of ionic liquid {1-butyl-3-methylimidazolium bromide [bmim][Br] in alkoxyalkanols + water} mixtures at different temperatures

    International Nuclear Information System (INIS)

    Pal, Amalendu; Kumar, Harsh; Kumar, Bhupinder; Sharma, Pooja; Kaur, Kirtanjot

    2013-01-01

    Highlights: ► Densities and speeds of sound of alkoxyalkanols in [bmim][Br]. ► Synthesis of room temperature ionic liquid [bmim][Br]. ► Partial molar volumes and compressibility of transfer. ► Apparent molar expansivities and the Hepler’s constant were calculated. ► Solute–solute and solute–solvent interactions and the structural changes of the solutes. - Abstract: The interactions of alkoxyalkanols with the ionic liquid 1-butyl-3-methylimidazolium bromide [bmim][Br] as a function of temperature were investigated by combination of volumetric and acoustic methods. The density, ρ, and speed of sound, u, of ethylene glycol monomethyl ether, diethylene glycol monomethyl ether, and triethylene glycol monomethyl ether (0.00–1.01 mol·kg −1 ) in aqueous 1-butyl-3-methylimidazolium bromide solutions ranging from pure water to 0.29 mass% of ionic liquid have been measured at T = (288.15, 298.15 and 308.15) K and atmospheric pressure. The apparent molar volume (V φ ) and adiabatic compressibility (K φ,S ) of alkoxyalkanols in aqueous ionic liquid solution were determined at the measured temperatures. The partial molar volume (V φ 0 ) and partial molar adiabatic compressibility (K φ 0 ) of alkoxyalkanols at infinite dilution were evaluated. Transfer volumes (ΔV φ 0 ) and transfer adiabatic compressibility (ΔK φ 0 ) at infinite dilution from water to aqueous ionic liquid solution were also calculated. The temperature dependence of the apparent molar volume was used to calculate apparent molar expansivity (φ E 0 ) and the Hepler’s constant values, (∂ 2 V φ 0 /∂T 2 ). The results were explained on the basis of competing patterns of interactions of co-solvent and the solute.

  14. Optimal Solution Volume for Luminal Preservation: A Preclinical Study in Porcine Intestinal Preservation.

    Science.gov (United States)

    Oltean, M; Papurica, M; Jiga, L; Hoinoiu, B; Glameanu, C; Bresler, A; Patrut, G; Grigorie, R; Ionac, M; Hellström, M

    2016-03-01

    Rodent studies suggest that luminal solutions alleviate the mucosal injury and prolong intestinal preservation but concerns exist that excessive volumes of luminal fluid may promote tissue edema. Differences in size, structure, and metabolism between rats and humans require studies in large animals before clinical use. Intestinal procurement was performed in 7 pigs. After perfusion with histidine-tryptophan-ketoglutarate (HTK), 40-cm-long segments were cut and filled with 13.5% polyethylene glycol (PEG) 3350 solution as follows: V0 (controls, none), V1 (0.5 mL/cm), V2 (1 mL/cm), V3 (1.5 mL/cm), and V4 (2 mL/cm). Tissue and luminal solutions were sampled after 8, 14, and 24 hours of cold storage (CS). Preservation injury (Chiu score), the apical membrane (ZO-1, brush-border maltase activity), and the electrolyte content in the luminal solution were studied. In control intestines, 8-hour CS in HTK solution resulted in minimal mucosal changes (grade 1) that progressed to significant subepithelial edema (grade 3) by 24 hours. During this time, a gradual loss in ZO-1 was recorded, whereas maltase activity remained unaltered. Moreover, variable degrees of submucosal edema were observed. Luminal introduction of high volumes (2 mL/mL) of PEG solution accelerated the development of the subepithelial edema and submucosal edema, leading to worse histology. However, ZO-1 was preserved better over time than in control intestines (no luminal solution). Maltase activity was reduced in intestines receiving luminal preservation. Luminal sodium content decreased in time and did not differ between groups. This PEG solution protects the apical membrane and the tight-junction proteins but may favor water absorption and tissue (submucosal) edema, and luminal volumes >2 mL/cm may result in worse intestinal morphology. Copyright © 2016 Elsevier Inc. All rights reserved.

  15. Thermodynamics of monomer partitioning in polymer latices: effect of molar volume of the monomers

    NARCIS (Netherlands)

    Schoonbrood, H.A.S.; German, A.L.

    1994-01-01

    A model of the thermodn. of partitioning of moderately water-sol. monomers in polymer latex systems is developed to show deviations that occur when the molar vols. of the monomers are not similar. The model, as well as expts. with Me acrylate and cyclohexyl methacrylate in polystyrene latex systems,

  16. Prevalent of root resorption of second molar adjustment the impacted third molar in prepiacal and panoramic radiographs

    Directory of Open Access Journals (Sweden)

    Mohammad Ebrahimi Saravi

    2013-10-01

    Full Text Available   Background and Aims: Impacted third molar reduces the bone level in the distal aspect of second molar, and sometimes it can lead to root resorption of the adjacent tooth. The purpose of this study was to determine this resorption using panoramic and periapical radiographs.   Materials and Methods: In this cross-sectional descriptive study 54 patient (28 men, 26 women above 15 years old with the average of 22 years in Oral and Maxillofacial Department of Tehran University were studied. A periapical radiography from the third molar and a panoramic radiograph were taken from each patient (Because of their routine use and evaluation of accuracy of panoramic compared with periapical, and the magnitude of the root resorption for the second molar was determined by 2 observers and written in a questionnaire. Data were analyzed using Fisher test.   Results: The prevalence of the root resorption of the second molar adjacent to the impacted third molar in the panoramic and the periapical radiographies, with respect to the limitation of the sample size were 46.3% and 31.5%, respectively, with 95% confidence(P>0.05. Most of these resorptions were in the cervical third of the second molar roots and in cases in which the third molars were mesially oriented or horizontal. There was also no significant difference between panoramic and periapical radiographs.   Conclusion: Due to the increased risk of the resorption of the second molar adjacent to the third molar, extraction of the impacted third molars, especiall y mesially oriented or horizontal ones are recommended.

  17. Volumetric properties of room temperature ionic liquid 1. The system of {1-methyl-3-ethylimidazolium ethyl sulfate+water} at temperature in the range (278.15 to 333.15) K

    International Nuclear Information System (INIS)

    Lu Xingmei; Xu Weiguo; Gui Jinsong; Li Huawei; Yang Jiazhen

    2005-01-01

    This paper reports densities of aqueous solutions of ionic liquid (IL) 1-methyl-3-ethylimidazolium ethyl sulfate (EMISE) that were measured gravimetrically at temperatures (278.15 to 333.15) K. The values of the apparent molar volume, φ V B and partial molar volume, V-bar B, were determined and apparent molar expansibilities φ E=((∂φ B )/∂T)) p of EMISE and the coefficients of thermal expansion of the solutions, α, were calculated. The values of the apparent molar volume, φ V B , were fitted by the method of least-squares to a Pitzer's equation to determine the parameters, β MX (0)V , β MX (1)V , and C MX V

  18. Autotransplantation of Mandibular Third Molar with Buccal Cortical Plate to Replace Vertically Fractured Mandibular Second Molar: A Novel Technique.

    Science.gov (United States)

    Zufía, Juan; Abella, Francesc; Trebol, Ivan; Gómez-Meda, Ramón

    2017-09-01

    Tooth replacement often leads to inadequate vertical volume in the recipient site bone when a tooth has been extracted because of a vertical root fracture (VRF). This case report presents the autotransplantation of a mandibular third molar (tooth #32) with the attached buccal cortical plate to replace a mandibular second molar (tooth #31) diagnosed with a VRF. After extraction of tooth #31, the recipient socket was prepared based on the size measured in advance with cone-beam computed tomographic imaging. The precise and calculated osteotomy of the cortical bone of tooth #32 allowed for the exact placement of the donor tooth in the position of tooth #31. The total extraoral time was only 25 minutes. The block was fixed to the recipient socket with an osteosynthesis screw and splinted with a double resin wire for 8 weeks. At the 6-month follow-up, the screw was removed, and the stability of the tooth and the regeneration obtained throughout the vestibular area were confirmed. At the 2-year follow-up, the transplanted tooth was asymptomatic and maintained a normal bone level. Advantages of autotransplantation over dental implants include maintenance of proprioception, possible orthodontic movements, and a relatively low cost. This case report demonstrates that an autotransplantation of a third molar attached to its buccal cortical plate is a viable option to replace teeth with a VRF. Copyright © 2017 American Association of Endodontists. Published by Elsevier Inc. All rights reserved.

  19. Volumetric and acoustical behaviour of sodium saccharin in aqueous system over temperature range (20.0-45.0)°C.

    Science.gov (United States)

    Jamal, Muhammad Asghar; Rashad, Muhammad; Khosa, Muhammad Kaleem; Bhatti, Haq Nawaz

    2015-04-15

    Densities and ultrasonic velocity values for aqueous solutions of sodium saccharin (SS) has been measured as a function of concentration at 20.0-45.0 °C and atmospheric pressure using DSA-5000 M. The density and ultrasonic velocity values have been further used to calculate apparent molar volume, apparent specific volume, isentropic apparent molar compressibility and compressibility hydration numbers and reported. The values for apparent molar volume obtained at given temperatures showed negative deviations from Debye-Hückel limiting law and used as a direct measure of the ion-ion and ion-solvent interactions. The apparent specific volumes of the solute were calculated and it was found that these values of the investigated solutions lie on the borderline between the values reported for sweet substances. The sweetness response of the sweeteners is then explained in terms of their solution behaviours. Furthermore, the partial molar expansibility, its second derivative, (∂(2)V°/∂T(2)) as Hepler's constant and thermal expansion coefficient have been estimated. Copyright © 2014 Elsevier Ltd. All rights reserved.

  20. Influence of hydrostatic pressure on dynamics and spatial distribution of protein partial molar volume: time-resolved surficial Kirkwood-Buff approach.

    Science.gov (United States)

    Yu, Isseki; Tasaki, Tomohiro; Nakada, Kyoko; Nagaoka, Masataka

    2010-09-30

    The influence of hydrostatic pressure on the partial molar volume (PMV) of the protein apomyoglobin (AMb) was investigated by all-atom molecular dynamics (MD) simulations. Using the time-resolved Kirkwood-Buff (KB) approach, the dynamic behavior of the PMV was identified. The simulated time average value of the PMV and its reduction by 3000 bar pressurization correlated with experimental data. In addition, with the aid of the surficial KB integral method, we obtained the spatial distributions of the components of PMV to elucidate the detailed mechanism of the PMV reduction. New R-dependent PMV profiles identified the regions that increase or decrease the PMV under the high pressure condition. The results indicate that besides the hydration in the vicinity of the protein surface, the outer space of the first hydration layer also significantly influences the total PMV change. These results provide a direct and detailed picture of pressure induced PMV reduction.

  1. Standard molar enthalpies of formation of copper(II) β-diketonates and monothio-β-diketonates

    International Nuclear Information System (INIS)

    Ribeiro da Silva, Manuel A.V.; Santos, Luis M.N.B.F.

    2006-01-01

    The standard (p o =0.1MPa) molar enthalpies of formation of the crystalline complexes of dibenzoylmethane (Hdbm), thenoyltrifluoroacetone (Httfa), monothiodibenzoylmethane (HdbmS), and monothiothenoyltrifluoroacetone (HttfaS) of copper(II) were determined, at T=298.15K, by high precision solution-reaction calorimetry. The standard molar enthalpies of sublimation of the copper(II) β-diketonate complexes were measured by high-temperature Calvet microcalorimetry. From the standard molar enthalpies of formation of the complexes in the gaseous state, the mean molar dissociation enthalpies copper(II)-ligand, m >(Cu-L), were derived. Δ f H m o (cr)Δ cr g H m o kJ.mol -1 kJ.mol -1 Bis(dibenzoylmethanate)copper(II), Cu(dbm) 2 -364.0+/-3.9230.7+/-8.2Bis(thenoyltrifluoroacetonate)copper(II), Cu(ttfa) 2 -1824.3+/-8.3167.9+/-7.4Bis(monothiodibenzoylmethanate)copper(II), Cu(dbmS) 2 35.6+/-7.7[241+/-15]Bis(monothiothenoyltrifluoroacetonate) copper(II), Cu(ttfaS) 2 -1405.7+/-8.3[177+/-15

  2. Pain Control Following Impacted Third Molar Surgery with Bupivacaine Irrigation of Tooth Socket: A Prospective Study

    Directory of Open Access Journals (Sweden)

    Reza Khorshidi Khiavi

    2010-12-01

    Full Text Available Background and aims. The surgical removal of the lower third molars is a procedure generally followed by side effects such as postoperative pain. The aim of this study was to evaluate the efficacy of socket irrigation with an anesthetic solution in relieving pain following impacted third molar surgery. Materials and methods. Thirty-four patients (17 males and 17 females, aged 18-24 years, with bilateral impacted lower third molars were selected. Both third molars were extracted in one surgical session. Tooth sockets in each patient were rinsed randomly either with 4 mL of 0.5% bupivacaine hydrochloride plain (without vasoconstrictor anesthetic solution or 4 mL of normal saline, used as control. The patients were instructed not to use analgesics as long as possible, and if not, they were instructed to use an analgesic, and record the time. Pain severity was assessed using a visual analogue pain scale (VAPS at 1-, 6-, 12-, and 24-hour intervals post-operatively. Data were analyzed using Pearson’s chi-square test and P <0.05 was considered statistically significant. Results. Post-operative pain difference between the two groups was statistically significant at 1-, 6-, 12- and 24-hour postoperative intervals (P <0.05. Post-operative pain increased in both groups to a maximum 12 hours after surgery with significant improvements after that. Conclusion. Based on the results, the irrigation of surgery site with bupivacaine after third molar surgery significantly reduces post-operative pain.

  3. Ab initio calculations of partial molar properties in the single-site approximation

    DEFF Research Database (Denmark)

    Ruban, Andrei; Skriver, Hans Lomholt

    1997-01-01

    We discuss the application of the single-site approximation in calculations of partial molar quantities, e.g., impurity solution energy, segregation energy, and effective chemical potential, which are related to a variation of the composition of an alloy or its nonequivalent parts. We demonstrate...

  4. Human dental age estimation combining third molar(s) development and tooth morphological age predictors.

    Science.gov (United States)

    Thevissen, P W; Galiti, D; Willems, G

    2012-11-01

    In the subadult age group, third molar development, as well as age-related morphological tooth information can be observed on panoramic radiographs. The aim of present study was to combine, in subadults, panoramic radiographic data based on developmental stages of third molar(s) and morphological measurements from permanent teeth, in order to evaluate its added age-predicting performances. In the age range between 15 and 23 years, 25 gender-specific radiographs were collected within each age category of 1 year. Third molar development was classified and registered according the 10-point staging and scoring technique proposed by Gleiser and Hunt (1955), modified by Köhler (1994). The Kvaal (1995) measuring technique was applied on the indicated teeth from the individuals' left side. Linear regression models with age as response and third molar-scored stages as explanatory variables were developed, and morphological measurements from permanent teeth were added. From the models, determination coefficients (R (2)) and root-mean-square errors (RMSE) were calculated. Maximal-added age information was reported as a 6 % R² increase and a 0.10-year decrease of RMSE. Forensic dental age estimations on panoramic radiographic data in the subadult group (15-23 year) should only be based on third molar development.

  5. Molar mass fractionation in aqueous two-phase polymer solutions of dextran and poly(ethylene glycol).

    Science.gov (United States)

    Zhao, Ziliang; Li, Qi; Ji, Xiangling; Dimova, Rumiana; Lipowsky, Reinhard; Liu, Yonggang

    2016-06-24

    Dextran and poly(ethylene glycol) (PEG) in phase separated aqueous two-phase systems (ATPSs) of these two polymers, with a broad molar mass distribution for dextran and a narrow molar mass distribution for PEG, were separated and quantified by gel permeation chromatography (GPC). Tie lines constructed by GPC method are in excellent agreement with those established by the previously reported approach based on density measurements of the phases. The fractionation of dextran during phase separation of ATPS leads to the redistribution of dextran of different chain lengths between the two phases. The degree of fractionation for dextran decays exponentially as a function of chain length. The average separation parameters, for both dextran and PEG, show a crossover from mean field behavior to Ising model behavior, as the critical point is approached. Copyright © 2016 Elsevier B.V. All rights reserved.

  6. Apparent molal volumes of symmetrical and asymmetrical isomers of tetrabutylammonium bromide in water at several temperatures

    International Nuclear Information System (INIS)

    Moreno, Nicolás; Malagón, Andrés; Buchner, Richard; Vargas, Edgar F.

    2014-01-01

    Highlights: • Apparent molal volumes of five isomers of Bu 4 NBr in water have been measured. • The structural effect of branched and linear chains is discussed. • The structural contributions to the ionic volume were calculated. -- Abstract: Apparent molal volumes of a series of differently substituted quaternary ammonium bromides, namely tetra-iso-butyl-, tetra-sec-butyl-, tetra-n-butyl-, di-n-butyl-di-sec-butyl- and di-n-butyl-di-iso-butylammonium bromide have been determined as a function of molal concentration at (298.15, 303.15 and 308.15) K. Partial molar volumes at infinite dilution and ionic molar volumes of these quaternary ammonium cations were determined. Structural volume contributions to the ionic molar volume were also calculated. The symmetric and asymmetric quaternary ammonium cations are “structure making” ions. The contribution of the branched butyl chains predominates over the linear butyl chains in the asymmetric cations

  7. Effect of magnesium acetate on the volumetric and transport behavior of some amino acids in aqueous solutions at 298.15K

    International Nuclear Information System (INIS)

    Banipal, Tarlok S.; Kaur, Damanjit; Banipal, Parampaul K.

    2006-01-01

    Densities, ρ, and viscosities, η, of glycine, dl-α-alanine, dl-α-amino-n-butyric acid, l-leucine and l-phenylalanine in 0.5, 1.0, 1.5 and 2.0 m B of aqueous magnesium acetate solutions at 298.15K have been measured as a function of concentration of amino acids using vibrating tube-digital densimeter and Ubbelohde capillary type viscometer, respectively. The apparent molar volumes, V φ , and relative viscosities, η r , of amino acids have been derived. The partial molar volume at infinite dilution, V 2 0 , and viscosity B-coefficient obtained from these data have been used to calculate the corresponding transfer parameters, Δ t V 0 , and Δ t B, for the studied amino acids from water to aqueous magnesium acetate solutions. The activation free energies, Δμ 2 0 >, for the viscous flow of solutions have been obtained by application of the transition-state theory to the viscosity B-coefficient data. The interaction coefficients and hydration number, n H , of amino acids in aqueous solutions have also been calculated to see the effect of magnesium acetate on the hydration of amino acids. The contribution of the zwitterionic end groups (NH 3 + , COO - ) and (CH 2 ) group of the amino acids to V 2 0 , viscosity B-coefficient and Δμ 2 0 > have been calculated. These results have been rationalized in terms of the hydration of hydrophilic and hydrophobic parts of amino acids

  8. A histological and micro-CT investigation in to the effect of NGF and EGF on the periodontal, alveolar bone, root and pulpal healing of replanted molars in a rat model - a pilot study.

    Science.gov (United States)

    Furfaro, Francesco; Ang, Estabelle S M; Lareu, Ricky R; Murray, Kevin; Goonewardene, Mithran

    2014-01-06

    This study aims to investigate, utilising micro-computed tomography (micro-CT) and histology, whether the topical application of nerve growth factor (NGF) and/or epidermal growth factor (EGF) can enhance periodontal, alveolar bone, root and pulpal tissue regeneration while minimising the risk of pulpal necrosis, root resorption and ankylosis of replanted molars in a rat model. Twelve four-week-old male Sprague-Dawley rats were divided into four groups: sham, collagen, EGF and NGF. The maxillary right first molar was elevated and replanted with or without a collagen membrane impregnated with either the growth factors EGF or NGF, or a saline solution. Four weeks after replantation, the animals were sacrificed and the posterior maxilla was assessed using histological and micro-CT analysis. The maxillary left first molar served as the control for the corresponding right first molar. Micro-CT analysis revealed a tendency for all replanted molars to have reduced root length, root volume, alveolar bone height and inter-radicular alveolar bone volume. It appears that the use of the collagen membrane had a negative effect while no positive effect was noted with the incorporation of EGF or NGF. Histologically, the incorporation of the collagen membrane was found to negatively affect pulpal, root, periodontal and alveolar bone healing with pulpal inflammation and hard tissue formation, extensive root resorption and alveolar bone fragmentation. The incorporation of EGF and NGF did not improve root, periodontal or alveolar bone healing. However, EGF was found to improve pulp vascularisation while NGF-improved pulpal architecture and cell organisation, although not to the level of the control group. Results indicate a possible benefit on pulpal vascularisation and pulpal cell organisation following the incorporation of EGF and NGF, respectively, into the alveolar socket of replanted molars in the rat model. No potential benefit of EGF and NGF was detected in periodontal or root

  9. Volumetric and viscometric study of aqueous binary mixtures of some glycol ethers at T = (275.15 and 283.15) K

    International Nuclear Information System (INIS)

    Dhondge, Sudhakar S.; Pandhurnekar, Chandrashekhar P.; Sheikh, Shaziya; Deshmukh, Dinesh W.

    2011-01-01

    Graphical abstract: Highlights: → Study of aqueous solutions of glycol ethers at low temperatures is presented. → Glycol ethers are industrially important liquids. → Reduction in the volume was observed upon addition of all glycol ethers to water. → Glycol ethers act as structure makers in aqueous medium. - Abstract: The experimental data for the density (ρ) and viscosity (η) are reported for aqueous binary mixtures of different glycol ethers, namely ethylene glycol monomethyl ether (EGMME), ethylene glycol monoethyl ether (EGMEE), diethylene glycol monomethyl ether (DEGMME), and diethylene glycol monoethyl ether (DEGMEE), at different temperatures (T = 275.15 K and 283.15 K) within the concentration range 0 mol . kg -1 to 0.1 mol . kg -1 . The values of density (ρ) and viscosity (η) of the solutions were used to compute different derived parameters, such as apparent molar volume (φ V ) of the solute, excess molar volume (V E ) of the solution, viscosity B and D coefficients of solution and temperature coefficient of viscosity B-coefficient (dB/dT) of solution. The limiting apparent molar volume of the solutes (φ V 0 ) have been obtained for aqueous binary mixtures of these glycol ethers by smooth extrapolation of φ V -m curves to zero concentration. By using the values of φ V 0 , the limiting excess partial molar volumes (V-bar 2 0E ) have also been calculated. The results are interpreted in term of various interactions such as solute-solvent interactions and hydrogen bonding.

  10. A three-dimensional finite element analysis of molar distalization with a palatal plate, pendulum, and headgear according to molar eruption stage

    Science.gov (United States)

    Kang, Ju-Man; Park, Jae Hyun; Bayome, Mohamed; Oh, Moonbee; Park, Chong Ook; Mo, Sung-Seo

    2016-01-01

    Objective This study aimed to (1) evaluate the effects of maxillary second and third molar eruption status on the distalization of first molars with a modified palatal anchorage plate (MPAP), and (2) compare the results to the outcomes of the use of a pendulum and that of a headgear using three-dimensional finite element analysis. Methods Three eruption stages were established: an erupting second molar at the cervical one-third of the first molar root (Stage 1), a fully erupted second molar (Stage 2), and an erupting third molar at the cervical one-third of the second molar root (Stage 3). Retraction forces were applied via three anchorage appliance models: an MPAP with bracket and archwire, a bone-anchored pendulum appliance, and cervical-pull headgear. Results An MPAP showed greater root movement of the first molar than crown movement, and this was more noticeable in Stages 2 and 3. With the other devices, the first molar showed distal tipping. Transversely, the first molar had mesial-out rotation with headgear and mesial-in rotation with the other devices. Vertically, the first molar was intruded with an MPAP, and extruded with the other appliances. Conclusions The second molar eruption stage had an effect on molar distalization, but the third molar follicle had no effect. The application of an MPAP may be an effective treatment option for maxillary molar distalization. PMID:27668192

  11. Intermolecular interactions in aqueous solutions of gallic acid at 296-306 K according to spectrofluorimetry and densimetry data

    Science.gov (United States)

    Grigoryan, K. R.; Sargsyan, L. S.

    2015-12-01

    Features of intermolecular interactions in aqueous solutions of gallic acid (GA) are studied by means of densimetry and fluorescence spectroscopy (intrinsic fluorescence, 2D spectra, and excitation/ emission matrix fluorescence spectra, 3D) at 296.15, 301.15, and 306.15 K in the concentration range of 5.88 × 10-4-5.88 × 10-2 mol L-1. It is shown by analyzing the concentration and temperature dependences of the apparent molar volumes and fluorescence parameters of GA that the equilibrium between nonassociated and associated species in the solution and the hydration of these species undergo changes.

  12. MANAGEMENT OF MANDIBULAR THIRD MOLAR SURGERY TO PRESERVE PERIODONTAL HEALTH OF SECOND MOLAR

    Directory of Open Access Journals (Sweden)

    Elitsa G. Deliverska

    2017-06-01

    Full Text Available Background: Extraction of impacted third molar violates surrounding soft and bony tissues. Various surgical approaches and surgical technics have an important impact on the periodontal health of the adjacent second molar. Purpose: The aim of this review is to analyse the causes that can affect postoperative periodontal outcomes for the mandibular second molars (LM2 adjacent to the impacted/ semi impacted mandibular third molars (LM3. Material and Methods: Electronic searches were conducted through the MEDLINE (PubMed, Scopus, etc. databases to screen all relevant articles published from inception to April 2017. Results: Different flap techniques had no significant impact on the probing depth reduction or on the clinical attachment level of LM2. Szmyd and paramarginal flap designs may be the most effective in reducing the probing depth after third molar surgery, and the envelope flap may be the least effective. Use of bone substitutes and guided tissue regeneration therapy has been proposed, to eliminate or prevent these periodontal defects, but there is still no consensus on their predictability or clinical benefit. Higher costs and the risk of postoperative inflammatory complications should also be taken into proper account, as with any surgical procedure. “Orthodontic extraction” is indicated for that impacted M3 that present a high risk of postoperative periodontal defects at the distal aspect of adjacent M2. Conclusion: Risk factors associated with bone loss following lower third molar extraction includes age, the direction of the eruption, preoperative bone defects, and resorbtion of the LM2 root surface. Prevention of such periodontal defects continues to challenge clinicians.

  13. Steric parameters and excess properties of hydroxamic acids

    International Nuclear Information System (INIS)

    Patre, Sandhya; Thakur, Piyush; Pande, Rama

    2012-01-01

    Graphical abstract: Plot of excess molar volume, V E , vs X 2 of (A) PBHA in DMF, (B) PMNHA in DMF, and (C) PNHA in DMF, at (■), 298.15 K; (▪), 303.15 K; (▪), 308.15 K; and (▪), 313.15 K. Highlights: ► Apparent molar volume indicates greater solute–solvent interactions. ► Excess properties show higher dispersion force in solution than pure solvent. ► Excess parameters suggest strong solute–solvent and solute–solute interactions. ► Limiting apparent molar expansibilities instigate highly hydrophobic characters. ► Hepler’s constant suggest the structure promoter nature of hydroxamic acids. - Abstract: Steric parameters of N-phenylbenzo-, N-phenyl-4-methyl-3-nitrobenzo-, and N-phenyl-4-nitrobenzo-, hydroxamic acids were measured in N,N-dimethylformamide (DMF) as a function of their concentrations at T = (298.15, 303.15, 308.15, and 313.15) K. The apparent molar volume (V φ ), limiting apparent molar volume (V φ 0 ) at infinite dilution and the slope (S V ∗ ) are calculated from the experimental values of density (ρ) by applying the Masson’s equation. The apparent molar expansibility at infinite dilution (φ E 0 ), molar volume (V) and the excess molar volume (V E ) are also computed. The refractive indices (n) have been used to calculate the steric parameters, viz. molar refraction (R M ), polarizability (α) and excess molar refraction (R) of these molecules. The results show the strong solute–solvent interactions present in the system and thus, help to explore the molecular structure.

  14. Incidence of root canal treatment of second molars following adjacent impacted third molar extraction

    Directory of Open Access Journals (Sweden)

    Yener Oguz

    2016-03-01

    Conclusion: Although the incidence is minimal, iatrogenic subluxation injuries occurring during the surgical removal of impacted third molars can lead to pulpal complications and a requirement for root canal treatment of adjacent second molars.

  15. Movimentação de molares inferiores ancorados em mini-parafusos Mandibular molar uprighting, using mini-screw as anchorage

    Directory of Open Access Journals (Sweden)

    Rosana Canteras Di Matteo

    2005-08-01

    Full Text Available Freqüentemente a movimentação ortodôntica exige recursos adicionais de ancoragem. Os mini-parafusos têm-se apresentado como uma possível solução. O propósito deste trabalho foi estabelecer um método para a verticalização de molares inferiores inclinados para mesial, utilizando ancoragem em mini-parafusos colocados na região de linha oblíqüa externa da mandíbula. Foram selecionados três pacientes entre 40 a 48 anos (dois do gênero feminino, um do gênero masculino, com molares inferiores inclinados para mesial e distalmente posicionados às áreas edêntulas. Os pacientes foram tratados ortodonticamente durante um período de 6 a 12 meses, com técnica ortodôntica MD3. Mini-parafusos de titânio foram colocados bilateralmente com anestesia local. Uma incisão sobre a linha oblíqüa externa da mandíbula, medindo aproximadamente 1 cm foi realizada em cada lado, distalmente aos molares inclinados. Após descolamento muco-periosteal, mini-parafusos foram implantados e foram realizadas suturas deixando suas cabeças exteriorizadas. Uma semana após a remoção das suturas, cargas ortodônticas (entre 150 a 200 gramas/força foram aplicadas através de forças elásticas. Verificamos que alguma inflamação foi observada ao redor dos mini-parafusos, mas foi controlada com procedimentos de higienização. O procedimento cirúrgico é simples, podendo ser realizado pelo ortodontista; as formas dimensionais dos mini-parafusos são adequadas e estes são de fácil remoção após uso. Concluímos que o uso de mini-parafusos representa uma alternativa efetiva de ancoragem ortodôntica na verticalização de molares inferiores.Tooth movement frequently requires additional anchorage resources. Mini-screws have been used as a possible solution to this matter. The purpose of this study was to establish a method of mandibular molar uprighting, using mini-screw as anchorage, positioned on the mandibular external oblique line, behind and

  16. Volumetric studies to examine the interactions of imidazolium based ionic liquids with water by means of density and speed of sound measurements

    International Nuclear Information System (INIS)

    Lal, Bhajan; Sahin, Melike; Ayranci, Erol

    2012-01-01

    Highlights: ► Imidazolium based ionic liquids in water were investigated thermodynamically. ► Densities and speeds of sound were measured for these systems. ► Apparent molar volumes and isentropic compressions were calculated. ► Apparent molar isobaric expansions at infinite dilution were derived. ► The results were interpreted in terms of ionic liquid–water interactions. - Abstract: Densities and speeds of sound for aqueous solutions of ionic liquids having 1-butyl-3-methylimidazolium as cation and chloride, bromide, iodide, acetate, tetrafluoroborate, and trifluoromethanesulfonate as anions were accurately measured at various concentrations and temperatures. The data were used in evaluating thermodynamic properties as apparent molar volumes and apparent molar isentropic compressions. Infinite dilution values of these properties were determined using appropriate extrapolation procedures utilizing Debye–Hückel limiting law for electrolyte solutions. Apparent molar isobaric expansions at infinite dilutions were also evaluated from the temperature dependence of apparent molar volumes. The results were interpreted in terms of ionic liquid–water interactions.

  17. THE EFFECT OF VOLUME VARIATION OF SILVER NANOPARTICLE SOLUTION TOWARDS THE POROSITY AND COMPRESSIVE STRENGTH OF MORTAR

    Directory of Open Access Journals (Sweden)

    W.S.B. Dwandaru

    2016-10-01

    Full Text Available As the world is growing rapidly, people need better building materials such as mortar. The aim of this research is to determine the effect of adding silver nanoparticle solution towards the porosity and compressive strength of mortar. This research was started by making silver nanoparticle solution from nitrate silver (AgNO3. The solution is then characterized using Uv-Vis spectrophotometer. 5 mM silver nanoparticle is added in the process of mortar production with volume variation of the silver nanoparticle solution. The porosity, compressive strength, and the content of mortar were determined by digital scale, universal testing machine, and X-ray diffraction, respectively. For silver nanoparticle solution volumes of (in mL 0, 5, 10, 15, 20, and 25 the porosity obtained are (in % 20.38, 19.48, 19.42, 18.9, 17.8, and 17.5, respectively. The best increase in compressive strength is obtained for (in MPa 29,068, 29,308, and 31,385, with nanoparticle solution volumes of (in mL 5, 10, and 15   Keywords: mortar, silver nanoparticle, compressive strength

  18. Hypomineralized Second Primary Molars as Predictor of Molar Incisor Hypomineralization

    Science.gov (United States)

    Negre-Barber, A.; Montiel-Company, J. M.; Boronat-Catalá, M.; Catalá-Pizarro, M.; Almerich-Silla, J. M.

    2016-01-01

    Molar incisor hypomineralization (MIH) is a developmental defect of dental enamel that shares features with hypomineralized second primary molars (HSPM). Prior to permanent tooth eruption, second primary molars could have predictive value for permanent molar and incisor hypomineralization. To assess this possible relationship, a cross-sectional study was conducted in a sample of 414 children aged 8 and 9 years from the INMA cohort in Valencia (Spain). A calibrated examiner (linear-weighted Kappa 0.83) performed the intraoral examinations at the University of Valencia between November 2013 and 2014, applying the diagnostic criteria for MIH and HSPM adopted by the European Academy of Paediatric Dentistry. 100 children (24.2%) presented MIH and 60 (14.5%) presented HSPM. Co-occurrence of the two defects was observed in 11.1% of the children examined. The positive predictive value was 76.7% (63.9–86.6) and the negative predictive value 84.7% (80.6–88.3). The positive likelihood ratio (S/1-E) was 10.3 (5.9–17.9) and the negative likelihood ratio (1-S/E) 0.57 (0.47–0.68). The odds ratio was 18.2 (9.39–35.48). It was concluded that while the presence of HSPM can be considered a predictor of MIH, indicating the need for monitoring and control, the absence of this defect in primary dentition does not rule out the appearance of MIH. PMID:27558479

  19. The Volumetric Properties of Some α-Amino Acids in Aqueous Sodium Butyrate Solutions at 308.15 K%α-氨基酸在丁酸钠水溶液中的体积性质(308.15K)

    Institute of Scientific and Technical Information of China (English)

    颜振宁; 成庆堂; 王键吉; 刘大壮

    1999-01-01

    Density data have been reported for glycine,DL-α-alanine,DL-α-amino-n-butyric acid,DL-valine and DL-leucine in aqueous solutions of 0.5,1.0,1.5 and 2.0 mol.kg-1 sodium butyrate at 308.15 K.The apparent molar volumes V2,φand standard partial molar volumes for the amino acids in aqueous sodium butyrate solutions have been calculated.The linear correlation between and the number of carbon atoms in the alkyl chain of the amino acids has been observed and utilized to estimate the contributions of the charged end groups ,CH2 group and other alkyl chains of the amino acids to .The results show that values for increase,while those for CH2 decrease,with sodium butyrate concentration.The hydration number of the amino acids decreases with increasing electrolyte concentrations.These phenomena are discussed by means of the dehydration effect of electrolyte on the amino acids.

  20. Neutron scattering study of dilute supercritical solutions

    International Nuclear Information System (INIS)

    Cochran, H.D.; Wignall, G.D.; Shah, V.M.; Londono, J.D.; Bienkowski, P.R.

    1994-01-01

    Dilute solutions in supercritical solvents exhibit interesting microstructures that are related to their dramatic macroscopic behavior. In typical attractive solutions, solutes are believed to be surrounded by clusters of solvent molecules, and solute molecules are believed to congregate in the vicinity of one another. Repulsive solutions, on the other hand, exhibit a local region of reduced solvent density around the solute with solute-solute congregation. Such microstructures influence solubility, partial molar volume, reaction kinetics, and many other properties. We have undertaken to observe these interesting microstructures directly by neutron scattering experiments on dilute noble gas systems including Ar. The three partial structure factors for such systems and the corresponding pair correlation functions can be determined by using the isotope substitution technique. The systems studied are uniquely suited for our objectives because of the large coherent neutron scattering length of the isotope 36 Ar and because of the accurate potential energy functions that are available for use in molecular simulations and theoretical calculations to be compared with the scattering results. We will describe our experiment, the unique apparatus we have built for it, and the neutron scattering results from our initial allocations of beam time. We will also describe planned scattering experiments to follow those with noble gases, including study of long-chain molecules in supercritical solvents. Such studies will involve hydrocarbon mixtures with and without deuteration to provide contrast

  1. Standard molar enthalpies of formation of copper(II) {beta}-diketonates and monothio-{beta}-diketonates

    Energy Technology Data Exchange (ETDEWEB)

    Ribeiro da Silva, Manuel A.V. [Centro de Investigacao em Quimica, Departamento de Quimica, Faculdade de Ciencias, Universidade do Porto, Rua do Campo Alegre, 687, P-4169-007 Porto (Portugal)]. E-mail: risilva@fc.up.pt; Santos, Luis M.N.B.F. [Centro de Investigacao em Quimica, Departamento de Quimica, Faculdade de Ciencias, Universidade do Porto, Rua do Campo Alegre, 687, P-4169-007 Porto (Portugal)

    2006-07-15

    The standard (p{sup o}=0.1MPa) molar enthalpies of formation of the crystalline complexes of dibenzoylmethane (Hdbm), thenoyltrifluoroacetone (Httfa), monothiodibenzoylmethane (HdbmS), and monothiothenoyltrifluoroacetone (HttfaS) of copper(II) were determined, at T=298.15K, by high precision solution-reaction calorimetry. The standard molar enthalpies of sublimation of the copper(II) {beta}-diketonate complexes were measured by high-temperature Calvet microcalorimetry. From the standard molar enthalpies of formation of the complexes in the gaseous state, the mean molar dissociation enthalpies copper(II)-ligand, (Cu-L), were derived. {delta}{sub f}H{sub m}{sup o} (cr){delta}{sub cr}{sup g}H{sub m}{sup o} kJ.mol{sup -1}kJ.mol{sup -1}Bis(dibenzoylmethanate)copper(II), Cu(dbm){sub 2}-364.0+/-3.9230.7+/-8.2Bis(thenoyltrifluoroacetonate)copper(II), Cu(ttfa){sub 2}-1824.3+/-8.3167.9+/-7.4Bis(monothiodibenzoylmethanate)copper(II), Cu(dbmS){sub 2}35.6+/-7.7[241+/-15]Bis(monothiothenoyltrifluoroacetonate) copper(II), Cu(ttfaS){sub 2}-1405.7+/-8.3[177+/-15].

  2. Thermophysical and excess properties of hydroxamic acids in DMSO

    International Nuclear Information System (INIS)

    Thakur, Piyush Kumar; Patre, Sandhya; Pande, Rama

    2013-01-01

    Graphical abstract: Excess molar volumes (V E ) vs mole fraction (x 2 ) of (A) N-o-tolyl-2-nitrobenzo- and (B) N-o-tolyl-4-nitrobenzo-hydroxamic acids in DMSO at different temperatures: ■, 298.15 K; ▪, 303.15 K; ▪, 308.15 K; ▪, 313.15 K; and ▪, 318.15 K. Highlights: ► ρ, n of the system hydroxamic acids in DMSO are reported. ► Apparent molar volume indicates superior solute–solvent interactions. ► Limiting apparent molar expansibility and coefficient of thermal expansion. ► Behaviour of this parameter suggest to hydroxamic acids act as structure maker. ► The excess properties have interpreted in terms of molecular interactions. -- Abstract: In this work, densities (ρ) and refractive indices (n) of N-o-tolyl-2-nitrobenzo- and N-o-tolyl-4-nitrobenzo-, hydroxamic acids have been determined for dimethyl sulfoxide (DMSO) as a function of their concentrations at T = (298.15, 303.15, 308.15, 313.15, and 318.15) K. These measurements were carried out to evaluate some important parameters, viz, molar volume (V), apparent molar volume (V ϕ ), limiting apparent molar volume (V ϕ 0 ), slope (S V ∗ ), molar refraction (R M ) and polarizability (α). The related parameters determined are limiting apparent molar expansivity (ϕ E 0 ), thermal expansion coefficient (α 2 ) and the Hepler constant (∂ 2 V ϕ 0 /∂T 2 ). Excess properties such as excess molar volume (V E ), deviations from the additivity rule of refractive index (n E ), excess molar refraction (R M E ) have also been evaluated. The excess properties were fitted to the Redlich–Kister equations to estimate their coefficients and standard deviations were determined. The variations of these excess parameters with composition were discussed from the viewpoint of intermolecular interactions in these solutions. The excess properties are found to be either positive or negative depending on the molecular interactions and the nature of solutions. Further, these parameters have been interpreted

  3. The volumetric and thermochemical properties of YCl{sub 3}(aq), YbCl{sub 3}(aq), DyCl{sub 3}(aq), SmCl{sub 3}(aq), and GdCl{sub 3}(aq) at T=(288.15, 298.15, 313.15, and 328.15) K and p=0.1 MPa[Trivalent metal chlorides; Densities; Heat capacities; Single ion properties; Calorimetry; Densimetry

    Energy Technology Data Exchange (ETDEWEB)

    Hakin, Andrew W. E-mail: hakin@uleth.ca; Lukacs, Michael J.; Liu, Jin Lian; Erickson, Kristy

    2003-11-01

    Relative densities and massic heat capacities have been measured for acidified aqueous solutions of YCl{sub 3}(aq), YbCl{sub 3}(aq), DyCl{sub 3}(aq), SmCl{sub 3}(aq), and GdCl{sub 3}(aq) at T=(288.15, 298.15, 313.15, and 328.15) K and p=0.1 MPa. These measurements have been used to calculate experimental apparent molar volumes and heat capacities which, when used in conjunction with Young's rule, were used to calculate the apparent molar properties of the aqueous chloride salt solutions. The latter calculations required the use of volumetric and thermochemical data for aqueous solutions of hydrochloric acid that have been previously reported in the literature. The concentration dependences of the apparent molar properties have been modeled using Pitzer ion interaction equations to yield apparent molar volumes and heat capacities at infinite dilution. The temperature and concentration dependences of the apparent molar volumes and heat capacities of each trivalent salt system were modeled using modified Pitzer ion interaction equations. These equations utilized the revised Helgeson, Kirkham, and Flowers equations of state to model the temperature dependences of apparent molar volumes and heat capacities at infinite dilution. Calculated apparent molar volumes and heat capacities at infinite dilution have been used to calculate single ion properties for the investigated trivalent metal cations. These values have been compared to those previously reported in the literature. The differences between single ion values calculated in this study and those values calculated from thermodynamic data for aqueous perchlorate salts are also discussed.

  4. CANINE ECTOPIC TREATMENT WITH FIRST MOLAR EXTRACTION

    Directory of Open Access Journals (Sweden)

    Angelica Margo

    2015-06-01

    Full Text Available Decision to extract or not and the type of tooth must be analyzed carefully in orthodontic treatment. Preferable tooth to be extracted was the tooth with large caries or restoration. Usually the type of tooth to be extracted was second molar (if the third molar appears, incisor, first molar, and combination of several teeth. Orthodontic treatment with molar extraction is more difficult to treat and the result is usually compromise. There are several considerations in extracting first molar such as tooth with large caries or restoration, hypoplasia, periapical disease, large discrepancy, high maxilla-mandibular plane angle, and cases with anterior open bite. Nowadays, orthodontic cases with molar extraction do not prolong the treatment time compared to premolar extraction case, but the anchorage system must be considered carefully. The present case was treated with extraction of first molar to solve anterior crowding with maximum anchorage at the upper jaw and using Nance Holding Appliance.

  5. Volumetric properties of room temperature ionic liquid 1. The system of {l_brace}1-methyl-3-ethylimidazolium ethyl sulfate+water{r_brace} at temperature in the range (278.15 to 333.15) K

    Energy Technology Data Exchange (ETDEWEB)

    Lu Xingmei [Department of Chemistry, Shenyang Normal University, Shenyang 110034 (China); Department of Chemistry, Liaoning University, Shenyang 110036 (China); Xu Weiguo [Institute of Salt Lakes, Chinese Academy of Science, Xining 810008 (China); Gui Jinsong [Department of Chemistry, Shenyang Normal University, Shenyang 110034 (China); Li Huawei [Department of Chemistry, Shenyang Normal University, Shenyang 110034 (China); Yang Jiazhen [Institute of Salt Lakes, Chinese Academy of Science, Xining 810008 (China)]. E-mail: jzyanglnu@yahoo.com.cn

    2005-01-01

    This paper reports densities of aqueous solutions of ionic liquid (IL) 1-methyl-3-ethylimidazolium ethyl sulfate (EMISE) that were measured gravimetrically at temperatures (278.15 to 333.15) K. The values of the apparent molar volume, {sup {phi}}V{sub B} and partial molar volume, V-bar B, were determined and apparent molar expansibilities {sup {phi}}E=(({partial_derivative}{phi}{sub B})/{partial_derivative}T)){sub p} of EMISE and the coefficients of thermal expansion of the solutions, {alpha}, were calculated. The values of the apparent molar volume, {sup {phi}}V{sub B}, were fitted by the method of least-squares to a Pitzer's equation to determine the parameters, {beta}{sub MX}{sup (0)V}, {beta}{sub MX}{sup (1)V}, and C{sub MX}{sup V}.

  6. Effect of sodium acetate on the volumetric behaviour of some mono-, di-, and tri-saccharides in aqueous solutions over temperature range (288.15 to 318.15) K

    Energy Technology Data Exchange (ETDEWEB)

    Banipal, Parampaul K., E-mail: pkbanipal@yahoo.co [Department of Chemistry, Guru Nanak Dev University, Amritsar 143 005 (India); Singh, Vickramjeet [Department of Chemistry, Guru Nanak Dev University, Amritsar 143 005 (India); Banipal, Tarlok S. [Department of Applied Chemistry, Guru Nanak Dev University, Amritsar 143 005 (India)

    2010-01-15

    The standard partial molar volumes, V{sub 2}{sup 0} at infinite dilution of eight monosaccharides [D(+)-xylose, D(-)-arabinose, D(-)-ribose, L(-)-sorbose, D(-)-fructose, D(+)-galactose, D(+)-glucose, and D(+)-mannose], six disaccharides [D(+)-cellobiose, sucrose, D(+)-melibiose, D(+)-lactose monohydrate, D(+)-trehalose dihydrate, and D(+)-maltose monohydrate] and two trisaccharides [D(+)-melizitose and D(+)-raffinose pentahydrate] (molalities of saccharides range from (0.03 to 0.12) mol . kg{sup -1}) have been determined in water and in (0.5, 1.0, 2.0, and 3.0) mol . kg{sup -1} aqueous sodium acetate solutions at temperatures, T = (288.15, 298.15, 308.15, and 318.15) K from density measurements using a vibrating-tube digital densimeter. From these results, corresponding standard partial molar volumes of transfer, DELTA{sub t}V{sub 2}{sup 0} have been determined for the transfer of various saccharides from water to aqueous solutions of sodium acetate. Positive values of DELTA{sub t}V{sub 2}{sup 0} were obtained for most of the saccharides, whose magnitude increase with the concentration of sodium acetate as well as temperature. However, negative DELTA{sub t}V{sub 2}{sup 0} values were observed for L(-)-sorbose, D(-)-fructose and D(+)-xylose at lower concentrations of co-solute. The negative magnitude of DELTA{sub t}V{sub 2}{sup 0} values decrease with rise of temperature from (288.15 to 318.15) K. Pair and higher order volumetric interaction coefficients have been determined by using McMillan-Mayer theory. Partial molar expansion coefficients, (partial derivV{sub 2}{sup 0}/partial derivT){sub p} and the second derivatives (partial deriv{sup 2}V{sub 2}{sup 0}/partial derivT{sup 2}){sub p} have also been estimated. These parameters have been utilized to understand various mixing effects in aqueous solutions due to the interactions between solute (saccharide) and co-solute (sodium acetate).

  7. Molar Incisiv Hypomineralisasjon - MIH Litteraturstudie

    OpenAIRE

    Khan, Aisha Farnaz

    2017-01-01

    Introduksjon: MIH er definert som emaljehypomineralisering av systemisk opprinnelse der 1 til 4 av første permanente molarer er rammet. Incisiver er også ofte affiserte. Hensikten med denne litteraturstudien er å lage en oversikt over, og vurdere tilgjengelig litteratur om MIH, og bruke litteraturen som bakgrunn for å utarbeide en informasjonsbrosjyre om MIH. Materiale og metode: Det ble utført et elektronisk søk i PubMed med søkestrengene ”Molar incisor hypomineralization MIH” og ”Molar inci...

  8. Volumetric and Refractive Index Behaviour of α-Amino Acids in Aqueous CTAB at Different Temperatures%不同温度下α-氨基酸在CTAB溶液中的体积及折光率的变化

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Densities (p) and refractive indices (nD) of glycine (Gly), DL-alanine (Ala), DL-valine (Val) (0.02, 0.04,measured at 298.15, 303.15, 308.15, and 313.15 K. The density data have been utilized to calculate apparent molar volumes (φv), partial molar volumes (φ0v), at infinite dilution and partial molar volumes of transfer φ0v (tr) of amino acids.The refractive index data have been used to calculate molar refractivity (RD) of amino acids in aqueous cetyltrimethylammonium bromide. It has been observed that φ0v varies linearly with increasing number of carbon atoms in the alkyl chain of amino acids, and hence, was split to get contributions from the zwitterionic end groups (NH+3,COO-) and methylene group (CH2) of the amino acids. The behaviour of these parameters has been used to investigate the solute-solute, solute-solvent interactions and the effect of cetyltrimethylammonium cation on these interactions.

  9. Expressly fabricated molar tube bases: enhanced adhesion.

    Science.gov (United States)

    Sharma, Tarun; Phull, Tarun Singh; Rana, Tarun; Kumar, Varun

    2014-06-01

    Clinicians, Orthodontists and their patients' parents often expect the best results in the shortest time span possible. Orthodontic bonding of molar tubes has been an acceptable risk in a modern era of refined biomaterials and instrumentation. Although many orthodontists still prefer banding to bonding, it is the failure rate of the tubes on molars which accounts to an impedance in molar bonding. One of the reasons for molar attachment failures is attributed to improper adaptation of the buccal tube base with or without increased thickness of composite. Merits of banding the second molars especially when these are the terminal teeth for anchorage have been overemphasized in the literature. The present article presents a simple and relatively less time consuming technique of preparing molar tubes to be bonded on tooth surfaces which may be quite difficult to isolate especially for bonding, for example, mandibular second molars. The increased surface area of the composite scaffold helps not only in enhanced bond strength but also serves to reduce the incidence of plaque accumulation given the dexterity of invitro preparation. The removal of the occlusal part of the molar tube scaffold helps in prevention of open / raised bite tendencies. The present innovation, therefore, is not merely serendipity but a structured technique to overcome a common dilemma for the clinical orthodontist. The present dictum of banding being superior to molar tube bonding may prove to be futile with trendsetting molar attachments. It is also an established fact that bonding proves to be a lesser expensive modality when compared to banding procedures.

  10. Permanent molars: Delayed development and eruption

    Directory of Open Access Journals (Sweden)

    Arathi R

    2006-05-01

    Full Text Available Delayed development and eruption of all the permanent molars is a rare phenomenon, which can cause disturbance in the developing occlusion. The eruption of permanent first and second molars is very important for the coordination of facial growth and for providing sufficient occlusal support for undisturbed mastication. In the case described, the first permanent molars were delayed in their development and were seen erupting at the age of nine and a half years. Severe disparity between the left and the right side of the dentition with respect to the rate of development of molars were also present.

  11. Determination of micelle formation of ketorolac tromethamine in aqueous media by acoustic measurements

    International Nuclear Information System (INIS)

    Savaroglu, Gokhan; Genc, Lütfi

    2013-01-01

    Graphical abstract: Value of critical micelle concentration (CMC) were detected by speed of sound and determined by an analytical method based on the Phillips definition of the CMC. Highlights: ► The aim of this study was to investigate the aggregation behaviour of KT. ► Influence of KT concentration and temperature upon volumetric properties was studied. ► CMC of KT aqueous solution was determined by using speeds of sound measurements. - Abstract: Density and speed of sound of ketorolac tromethamine in aqueous solutions have been measured as a function of concentration at atmospheric pressure and in the temperature range from 293.15 to 313.15 K. Apparent molar volumes, apparent isentropic compressibility and isentropic compressibility values have also been calculated from the experimental density and speed of sound data. Partial molar volume and partial molar isentropic compressibility are obtained from fitting procedures the data on apparent molar volume, V φ , and apparent isentropic compressibility, K φ(S) . Partial molar volume, V φ 0 , and partial molar isentropic compressibility, k φ(S) 0 , are informative thermodynamic characteristics that reflect solute hydration. The critical micelle concentration (CMC) was determined from speed of sound data by an analytical method based on the Phillips definition of the CMC. Using these results, it was possible to establish the solvent–drug interactions.

  12. Formation of polyelectrolyte complexes with diethylaminoethyl dextran: charge ratio and molar mass effect.

    Science.gov (United States)

    Le Cerf, Didier; Pepin, Anne Sophie; Niang, Pape Momar; Cristea, Mariana; Karakasyan-Dia, Carole; Picton, Luc

    2014-11-26

    The formation of polyelectrolyte complexes (PECs) between carboxymethyl pullulan and DEAE Dextran, was investigated, in dilute solution, with emphasis on the effect of charge density (molar ratio or pH) and molar masses. Electrophoretic mobility measurements have evidenced that insoluble PECs (neutral electrophoretic mobility) occurs for charge ratio between 0.6 (excess of polycation) and 1 (stoichiometry usual value) according to the pH. This atypical result is explained by the inaccessibility of some permanent cationic charge when screened by pH dependant cationic ones (due to the Hoffman alkylation). Isothermal titration calorimetry (ITC) indicates an endothermic formation of PEC with a binding constant around 10(5) L mol(-1). Finally asymmetrical flow field flow fractionation coupled on line with static multi angle light scattering (AF4/MALS) evidences soluble PECs with very large average molar masses and size around 100 nm, in agreement with scrambled eggs multi-association between various polyelectrolyte chains. Copyright © 2014 Elsevier Ltd. All rights reserved.

  13. Adsorption of Nitrite and Nitrate Ions from an Aqueous Solution by Fe-Mg-Type Hydrotalcites at Different Molar Ratios.

    Science.gov (United States)

    Ogata, Fumihiko; Nagai, Noriaki; Kariya, Yukine; Nagahashi, Eri; Kobayashi, Yuhei; Nakamura, Takehiro; Kawasaki, Naohito

    2018-01-01

    In this study, we prepared Fe-Mg-type hydrotalcites (Fe-HT3.0 and Fe-HT5.0) with different molar ratios and evaluated their adsorption capability for nitrite and nitrate ions from aqueous solution. Fe-HT is a typical hydrotalcite-like layered double hydroxide. Adsorption isotherms, as well as the effects of contact time and pH were investigated, and it was found that Fe-HT can adsorb larger amounts of nitrite and nitrate ions than Al-HT (normal-type hydrotalcite). Adsorption isotherm data were fitted to both Freundlich (correlation coefficient: 0.970-1.000) and Langmuir (correlation coefficient: 0.974-0.999) equations. Elemental analysis and binding energy of Fe-HT surface before and after adsorption indicated that the adsorption mechanism was related to the interaction between the adsorbent surface and anions. In addition, the ion exchange process is related to the adsorption mechanism. The adsorption amount increased with increasing temperature (7-25°C). The experimental data fit the pseudo-second-order model better than the pseudo-first-order model. The effect of pH on adsorption was not significant, which suggested that Fe-HT could be used over a wide pH range (4-12). These results indicate that Fe-HT is a good adsorbent for the removal of nitrite and nitrate ions from aqueous solution.

  14. pH effect on the enthalpy of dilution and volumetric properties of protocatechuic acid at T = 298.15 K

    International Nuclear Information System (INIS)

    Zheng, Yan; Liu, Min; Wang, Yong; Wang, Chunmei; Sun, Dezhi; Wang, Bingquan

    2014-01-01

    Graphical abstract: The dilution thermal power of PCA in potassium phosphate buffer solutions at different pHs and apparent molar volumes were determined in order to investigate the interactions of PCA with the coexistent spicies. - Highlights: • Enthalpies of dilution and apparent molar volumes of PCA in PBS at different pHs were measured. • Enthalpic interaction coefficients, limiting partial molar volumes and experimental slopes of PCA were determined. • The pH dependence of the weak interactions in the investigated system was obtained. • (Solute + solvent) interactions and structure making/breaking ability of solutes in the given system were discussed. - Abstract: The enthalpies of dilution of protocatechuic acid, a natural anti-cancer substance, in sodium phosphate and potassium phosphate buffer solutions with different pH values were measured by using a mixing-flow microcalorimeter at T = 298.15 K. Densities of the pseudo binary system (phosphate buffer + protocatechuic acid) were also measured with a quartz vibrating-tube densimeter. The enthalpic interaction coefficients (h 2 , h 3 and h 4 ) were computed according to the McMillan–Mayer model. Apparent molar volumes of the system were calculated from the data of densities, which have been used to deduce limiting partial molar volumes (V ϕ 0 ) of protocatechuic acid at different pH values. The aim of the experiments and data process is to investigate the interaction between the molecules of the important drug and that of the drug molecule with coexistent species in aqueous solutions as well as the influences on these interactions of such factors as pH and ion strength. Change trends of the enthalpic pair wise interaction coefficient h 2 and V ϕ 0 of protocatechuic acid with pH increasing in the both phosphate buffer solutions were obtained. The thermodynamic properties, h 2 and V ϕ 0 in potassium phosphate buffer solutions were compared with those in sodium phosphate buffer solutions at

  15. Effect of Solution Molarity, Substrate Temperature and Spray Time on The Structural and Optical Properties Of ZnO Thin Films Deposited By Spray Pyrolysis

    International Nuclear Information System (INIS)

    Ramadan, A.A.; Hashem, H. M.; El-Sayed, S. M.; Ashour, A.H.; Abdel-Haleem, S.M.

    2013-01-01

    Zinc oxide thin films were deposited on a glass substrate by spray pyrolysis technique using solution of zinc acetate and air as the carrier gas. Effects of solution molarity, substrate temperature and spray time on films properties were investigated. All films deposited were characterized using X-ray diffraction for structural characterization and UV-VIS transmission spectrophotometry for optical properties. According to the analytical method, the type of crystal lattice was found to be hexagonal and X-ray diffraction (XRD) patterns showed that the films deposited were polycrystalline with (002) plane as preferential orientation. The values of lattice constant, grain size, micro strain and dislocation density of all samples were calculated. In addition, Optical behaviors of film samples were analyzed by obtaining transmission spectra, in the wavelength range of 350-800 nm. The UV-VIS spectroscopy shows the high transparency of ZnO films in the UV region. An optimization of the films has been carried out to determine the best preparation conditions.

  16. Study of thermodynamic and acoustic behaviour of nicotinic acid in binary aqueous mixtures of D-lactose

    Science.gov (United States)

    Sharma, Ravi; Thakur, R. C.

    2017-07-01

    In the present study, the thermodynamic properties such as partial molar volumes, partial molar expansibilities, partial molar compressibilities, partial molar heat capacities and isobaric thermal expansion coefficient of different solutions of nicotinic acid in binary aqueous mixtures of D-lactose have been determined at different temperatures (298.15, 303.15, 308.15, 313.15) K. Masson's equation is used to interpret the data in terms of solute-solute and solute-solvent interactions. In the present study it has been found that nicotinic acid behaves as structure maker in aqueous and binary aqueous mixtures of D-lactose.

  17. Compressed liquid densities and excess molar volumes for (CO2 + 1-pentanol) binary system at temperatures from 313 to 363 K and pressures up to 25 MPa

    International Nuclear Information System (INIS)

    Zuniga-Moreno, Abel; Galicia-Luna, Luis A.; Sandler, Stanley I.

    2008-01-01

    Measurements of compressed liquid densities for 1-pentanol and for {CO 2 (1) + 1-pentanol (2)} system were carried out at temperatures from 313 K to 363 K and pressures up to 25 MPa. Densities were measured for binary mixtures at 10 different compositions, x 1 = 0.0816, 0.1347, 0.3624, 0.4651, 0.6054, 0.7274, 0.8067, 0.8573, 0.9216, and 0.9757. A vibrating tube densimeter was used to perform density measurements using two reference calibration fluids. The uncertainty is estimated to be better than ±0.2 kg . m -3 for the experimental density measurements. For each mixture and for 1-pentanol, the experimental densities were correlated using an explicit volume equation of six parameters and an 11-parameter equation of state (EoS). Excess molar volumes were determined for the (CO 2 + 1-pentanol) system using 1-pentanol densities calculated from the 11-parameter EoS and CO 2 densities calculated from a multiparameter reference EoS

  18. Mini-implant-supported Molar Distalization

    Directory of Open Access Journals (Sweden)

    Amit Goyal

    2012-01-01

    Full Text Available Temporary anchorage devices popularly called mini-implants or miniscrews are the latest addition to an orthodontist′s armamentarium. The following case report describes the treatment of a 16-year-old girl with a pleasant profile, moderate crowding and Angle′s Class II molar relationship. Maxillary molar distalization was planned and mini-implants were used to preserve the anterior anchorage. After 13 months of treatment, Class I molar and canine relation was achieved bilaterally and there was no anterior proclination. Thus, mini-implants provide a viable option to the clinician to carry out difficult tooth movements without any side effects.

  19. [Molar incisor hypomineralization (MIH)--a literature review].

    Science.gov (United States)

    Gotler, M; Ratson, T

    2010-04-01

    MIH was defined by Weerheijm (2001) as "hypomineralisation of systemic origin of 1-4 permanent first molars, frequently associated with affected incisors". The prevalence of MIH varies between 2.8% and 25%, dependent upon the study. At their sixth congress in 2003, The European Association of pediatric dentistry defined criteria for diagnosis of the phenomena. It included the presence of demarcated opacity, posteruptive enamel breakdown, atypical restoration, extracted molar due to MIH and unerupted teeth. According to the teeth involved and to the time of the crown formation, researches focused on environmental and systemic conditions as possible reasons for MIH.The etiologies were divided into five groups: Exposure to environmental contaminants, pre/peri and neonatal problems, exposure to fluoride, common childhood illnesses and medically compromised children. The clinical implications include highly sensitive teeth, difficulty to achieve adequate anesthesia, behavioral problems and anxiety, rapid progression of caries and the esthetic implications. A six step approach to management was described suggested: risk identification, early diagnosis, remineralization and desensitization, prevention of caries and posteruption breakdown, restorations and extractions and finally maintenance. Restoring an affected molar can vary from adhesive intra coronal restorations (resin composite is the material of choice) to extra coronal restorations (e.g. preformed metal crown). Esthetic solutions to affected incisors may include microabrasion (that shows little improvement) and resin composite or porcelain veneer. The key for a successful treatment is early diagnosis, intense follow up and usage of remineralizating agents as soon as the teeth erupt. There is still need for further research to clarify the etiological factors and improve the durability of restoration in affected teeth.

  20. Standard molar enthalpies of formation of nickel(II) {beta}-diketonates and monothio-{beta}-diketonates

    Energy Technology Data Exchange (ETDEWEB)

    Ribeiro da Silva, Manuel A.V. [Centro de Investigacao em Quimica, Departamento de Quimica, Faculdade de Ciencias, Universidade do Porto, Rua do Campo Alegre, 687, P-4169-007 Porto (Portugal)]. E-mail: risilva@fc.up.pt; Santos, Luis M.N.B.F. [Centro de Investigacao em Quimica, Departamento de Quimica, Faculdade de Ciencias, Universidade do Porto, Rua do Campo Alegre, 687, P-4169-007 Porto (Portugal); Giera, Edward [Faculty of Chemistry, Wroclaw University, ul. F. Joliot-Curie 14, 50-383 Wroclaw (Poland)

    2007-03-15

    The standard (p{sup o}=0.1MPa) molar enthalpies of formation of the crystalline diaquobis(dibenzoylmethanate)nickel(II), Ni(dbm){sub 2}(H{sub 2}O){sub 2}, diaquobis(thenoyltrifluoroacetonate)nickel(II), Ni(ttfa){sub 2}(H{sub 2}O){sub 2} bis(monothiodibenzoylmethanate)nickel(II), Ni(dbmS){sub 2} and bis(monothiothenoyltrifluoroacetonate)nickel(II), Ni(HttfaS){sub 2} were determined, at T=298.15K, by high precision solution-reaction calorimetry. The standard molar enthalpy of sublimation of the monothiothenoyltrifluoroacetone (HttfaS) complex was measured by high-temperature Calvet microcalorimetry. From the standard molar enthalpies of formation of the complexes in the gaseous state, the mean nickel(II)-ligand molar dissociation enthalpies, (Ni-L), were derived. {delta}{sub f}H{sub m}{sup o}(cr)/(kJ.mol{sup -1})Diaquobis(dibenzoylmethanate)nickel(II), Ni(dbm){sub 2}(H{sub 2}O){sub 2}-993.3+/-3.8Diaquobis(thenoyltrifluoroacetonate)nickel(II), Ni(ttfa){sub 2}(H{sub 2}O){sub 2}-2452.0+/-8.3Bis(monothiodibenzoylmethanate)nickel(II), Ni(dbmS){sub 2}-42.1+/-5.9Bis(monothiothenoyltrifluoroacetonate)nickel(II), Ni(ttfaS){sub 2}-1473.5+/-8.1.

  1. Volumetric, viscosity, and electrical conductivity properties of aqueous solutions of two n-butylammonium-based protic ionic liquids at several temperatures

    International Nuclear Information System (INIS)

    Xu, Yingjie

    2013-01-01

    Highlights: • Densities and viscosities of N4AC + water and N4NO 3 + water mixtures were measured. • Volumetric and viscosity properties were calculated. • Redlich–Kister equation was used to correlate the excess molar volumes and viscosity deviations. • Electrical conductivity was fitted according to the empirical Casteel–Amis equation. • The interactions and structural effects of N4AC or N4NO 3 with water were analyzed. -- Abstract: Densities and viscosities of (n-butylammonium acetate (N4AC) protic ionic liquid + water) and (n-butylammonium nitrate (N4NO 3 ) protic ionic liquid + water) mixtures were measured at T = (293.15, 298.15, 303.15, 308.15, and 313.15) K under atmospheric pressure. Electrical conductivities of the above-mentioned systems were determined at 298.15 K. Excess molar volumes and viscosity deviations were obtained from the experimental results and fitted to the Redlich–Kister equation with satisfactory results. Other volumetric properties, such as apparent molar volumes, partial molar volumes, and excess partial molar volumes were also calculated. The concentration dependence of electrical conductivity was fitted according to the empirical Casteel–Amis equation. Based on the measured and derived properties, the molecular interactions and structural factors in the above-mentioned systems were discussed

  2. Influence of unilateral maxillary first molar extraction treatment on second and third molar inclination in Class II subdivision patients

    NARCIS (Netherlands)

    Livas, Christos; Pandis, Nikolaos; Booij, Johan Willem; Halazonetis, Demetrios J.; Katsaros, Christos; Ren, Yijin

    Objective: To assess the maxillary second molar (M2) and third molar (M3) inclination following orthodontic treatment of Class II subdivision malocclusion with unilateral maxillary first molar (M1) extraction. Materials and Methods: Panoramic radiographs of 21 Class II subdivision adolescents (eight

  3. Liquid densities and excess molar volumes for (ionic liquids + methanol + water) ternary system at atmospheric pressure and at various temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Deenadayalu, Nirmala [Department of Chemistry, Durban University of Technology, Steve Biko Campus, P.O. Box 1334, Durban, KwaZulu-Natal 4001 (South Africa)], E-mail: NirmalaD@dut.ac.za; Kumar, Satish; Bhujrajh, Pravena [Department of Chemistry, Durban University of Technology, Steve Biko Campus, P.O. Box 1334, Durban, KwaZulu-Natal 4001 (South Africa)

    2007-09-15

    Excess molar volumes, V{sub m}{sup E} have been evaluated from density measurements over the entire composition range for ternary liquid system of ionic liquid (1-ethyl-3-methyl-imidazolium diethylenglycol monomethylether sulphate {l_brace}[EMIM][CH{sub 3}(OCH{sub 2}CH{sub 2}){sub 2}OSO{sub 3}]) (1) + methanol (2) + water (3){r_brace} at T = (298.15, 303.15, and 313.15) K. A vibrating tube densimeter was used for these measurements at atmospheric pressure. The V{sub m}{sup E} values were found to be negative at T = (298.15 and 303.15) K. For {l_brace}[EMIM][CH{sub 3}(OCH{sub 2}CH{sub 2}){sub 2}OSO{sub 3}] (1) + methanol (2) + water (3){r_brace} at T = 313.15 K the V{sub m}{sup E} values become positive at higher mole fraction of ionic liquid and at a corresponding decrease in mole fraction of water. All the experimental data were fitted with the Redlich-Kister equation. The results have also been analysed in term of graph theoretical approach.

  4. Thermodynamic properties of potassium chloride aqueous solutions

    Science.gov (United States)

    Zezin, Denis; Driesner, Thomas

    2017-04-01

    Potassium chloride is a ubiquitous salt in natural fluids, being the second most abundant dissolved salt in many geological aqueous solutions after sodium chloride. It is a simple solute and strong electrolyte easily dissociating in water, however the thermodynamic properties of KCl aqueous solutions were never correlated with sufficient accuracy for a wide range of physicochemical conditions. In this communication we propose a set of parameters for a Pitzer-type model which allows calculation of all necessary thermodynamic properties of KCl solution, namely excess Gibbs free energy and derived activity coefficient, apparent molar enthalpy, heat capacity and volume, as well as osmotic coefficient and activity of water in solutions. The system KCl-water is one of the best studied aqueous systems containing electrolytes. Although extensive experimental data were collected for thermodynamic properties of these solutions over the years, the accurate volumetric data became available only recently, thus making possible a complete thermodynamic formulation including a pressure dependence of excess Gibbs free energy and derived properties of the KCl-water liquids. Our proposed model is intended for calculation of major thermodynamic properties of KCl aqueous solutions at temperatures ranging from freezing point of a solution to 623 K, pressures ranging from saturated water vapor up to 150 MPa, and concentrations up to the salt saturation. This parameterized model will be further implemented in geochemical software packages and can facilitate the calculation of aqueous equilibrium for reactive transport codes.

  5. Morphologic study of the maxillary molars. Part II: Internal anatomy.

    Science.gov (United States)

    Pécora, J D; Woelfel, J B; Sousa Neto, M D; Issa, E P

    1992-01-01

    The internal anatomy of three hundred and seventy (370) decalcified and cleared human maxillary molars was studied. Seventy-five percent of the first molars, 58% of the second molars and 68% of the third molars studied presented three (3) root canals and 25% of the first molars, 42% of the second molars and 32% of the third molars presented four (4) root canals. The authors observed that the incidence of two root canals in the mesiobuccal root was higher in second maxillary molars than in first maxillary molars.

  6. Pulpectomy procedures in primary molar teeth

    OpenAIRE

    Hany Mohamed Aly Ahmed

    2014-01-01

    Premature loss of primary molars can cause a number of undesirable consequences including loss of arch length, insufficient space for erupting premolars and mesial tipping of the permanent molars. Pulpectomy of primary molar teeth is considered as a reasonable treatment approach to ensure either normal shedding or a long-term survival in instances of retention. Despite being a more conservative treatment option than extraction, efficient pulpectomy of bizarre and tortuous root canals encased ...

  7. Concentration dependences of the density, viscosity, and refraction index of Cu(NO3)2 · 3H2O solutions in DMSO at 298 K

    Science.gov (United States)

    Mamyrbekova, A. K.

    2013-03-01

    Physicochemical properties (density, dynamic viscosity, refraction index) of the DMSO-Cu(NO3)2 · 3H2O system are studied in the concentration range of 0.01-2 M at 298 K. The refraction index of a solution of copper(II) nitrate in dimethylsulfoxide (DMSO) is measured at 288-318 K. The excess and partial molar volumes of the solvent and dissolved substance are calculated analytically.

  8. Pramana – Journal of Physics | Indian Academy of Sciences

    Indian Academy of Sciences (India)

    Home; Journals; Pramana – Journal of Physics; Volume 62; Issue 5. Molar extinction coefficients of solutions of some organic compounds. Kulwant Singh G K Sandhu B S Lark. Brief Reports Volume 62 Issue 5 May 2004 pp 1139-1145 ... Keywords. Molar extinction coefficients; effective atomic numbers; electron density.

  9. Combustion energies and standard molar enthalpies of formation for the complexes of the first-row transitional metal chlorides with L-α-histidine

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    Seven novel solid complexes of the first-row transitional metal with L-α-histidine were synthesized, and their compositions were determined. The constant-volume combustion energies of the complexes were measured by a precision rotation bomb calorimeter. The standard molar enthalpies of combustion and the standard molar enthalpies of formation were calculated. The results indicated thatthe plots of the standard enthalpies of formation against the atomic number of the metal show a regularity of zigzag.

  10. Dental lesions and restorative treatment in molars

    Directory of Open Access Journals (Sweden)

    Gheorghiu Irina-Maria

    2017-08-01

    Full Text Available This article review specific clinical issues of the molar teeth, as well as the therapeutic approach of their pathology. The dental pathology we face in the group of molars is related to: dental caries, dental trauma (crown and crown-root fractures, dental wear phenomena. The therapeutic approach of the molar teeth is represented by: restoration of the loss of hard dental tissues; endodontic treatments of pulpal and periapical complications; surgical treatment. The restorative treatments in molars are: direct restorations, with or without supplementary anchorage for obturations; inlay, onlay; prosthetic crown.

  11. Occurrence of cervical invasive root resorption in first and second molar teeth of orthodontic patients eight years after bracket removal.

    Science.gov (United States)

    Thönen, Andrea; Peltomäki, Timo; Patcas, Raphael; Zehnder, Matthias

    2013-01-01

    The occurrence and potential orthodontic causes of cervical invasive root resorption (CIRR) are unknown. We aimed to identify the occurrence of CIRR in molar teeth of orthodontic patients treated with fixed appliances. All patients invited for final orthodontic recall between November 2009 and March 2011 were included. From 175 patients, 108 (46 men/62 women; mean age, 25 ± 5 years; mean time after bracket removal, 8 ± 2 years) were available. The first and second molar teeth (N = 858) of these patients were investigated for clinical and radiographic signs of CIRR. Patients identified with such signs were asked to have limited-volume cone-beam computed tomography scans performed. No clinical signs of CIRR were detected. CIRR could not be ruled out on bite-wing radiographs in 18 patients. CIRR was thus identified in 1 patient in whom a second maxillary molar was affected. All first molars had been extracted in this patient, and the second molars had been moved mesially over a long distance. The 3 other second molars showed surface resorption. CIRR in molar teeth of orthodontic patients have a low mid-term occurrence (0.9%; 95% confidence interval, 0.2%-5.2%). Long movement distances and/or long treatment duration may be related to the development of these lesions. Copyright © 2013 American Association of Endodontists. Published by Elsevier Inc. All rights reserved.

  12. Autogenous transplantation of maxillary and mandibular molars.

    Science.gov (United States)

    Reich, Peter P

    2008-11-01

    Autogenous tooth transplantation has been used as a predictable surgical approach to correct malocclusion and replace edentulous areas. This article focuses on the surgical approach and technique for molar transplantation. Thirty-two patients aged between 11 and 25 years underwent 44 autogenous molar transplantations. The procedure involved transplantation of impacted or newly erupted third molars into the extraction sockets of nonrestorable molars and surgical removal and replacement of horizontally impacted molars into their proper vertical alignment. Five basic procedural concepts were applied: 1) atraumatic extraction, avoiding disruption of the root sheath and root buds; 2) apical contouring of bone at the transplantation site and maxillary sinus lift via the Summers osteotome technique, when indicated, for maxillary molars; 3) preparation of a 4-wall bony socket; 4) avoidance of premature occlusal interferences; and 5) stabilization of the tooth with placement of a basket suture. All 32 patients successfully underwent the planned procedure. To date, 2 patients have had localized infection that resulted in loss of the transplant. The remaining 42 transplants remain asymptomatic and functioning, with a mean follow-up period of 19 months. No infection, ankylosis, loss of the transplant, or root resorption has been noted. In addition, endodontic therapy has not been necessary on any transplanted teeth. Autogenous tooth transplantation has been discussed and described in the literature previously, with a primary focus on cuspid and bicuspid transplantation. The molar transplant is infrequently discussed in today's literature, possibly because of the preponderance of titanium dental implants. Autogenous molar transplantation is a viable procedure with low morbidity and excellent functional and esthetic outcomes. This report shows the successful transplantation of 42 of 44 molars in 32 patients with a mean follow-up period of 19 months.

  13. Does fixed retention prevent overeruption of unopposed mandibular second molars in maxillary first molar extraction cases?

    NARCIS (Netherlands)

    Livas, Christos; Halazonetis, Demetrios J; Booij, Johan W; Katsaros, Christos; Ren, Yijin

    2016-01-01

    BACKGROUND: The objective of this study was to investigate whether multistranded fixed retainers prevented overeruption of unopposed mandibular second molars in maxillary first molar extraction cases. METHODS: The panoramic radiographs of 65 Class II Division 1 Caucasian Whites (28 females, 37

  14. Maxillary molar distalization with first class appliance.

    Science.gov (United States)

    Ramesh, Namitha; Palukunnu, Biswas; Ravindran, Nidhi; Nair, Preeti P

    2014-02-27

    Non-extraction treatment has gained popularity for corrections of mild-to-moderate class II malocclusion over the past few decades. The distalization of maxillary molars is of significant value for treatment of cases with minimal arch discrepancy and mild class II molar relation associated with a normal mandibular arch and acceptable profile. This paper describes our experience with a 16-year-old female patient who reported with irregularly placed upper front teeth and unpleasant smile. The patient was diagnosed to have angles class II malocclusion with moderate maxillary anterior crowding, deep bite of 4 mm on a skeletal class II base with an orthognathic maxilla and retrognathic mandible and normal growth pattern. She presented an ideal profile and so molar distalization was planned with the first-class appliance. Molars were distalised by 8 mm on the right and left quadrants and class I molar relation achieved within 4 months. The space gained was utilised effectively to align the arch and establish a class I molar and canine relation.

  15. Dynamic dilution exponent in monodisperse entangled polymer solutions

    DEFF Research Database (Denmark)

    Shahid, T.; Huang, Qian; Oosterlinck, F.

    2017-01-01

    of concentration but also depends on the molar mass of the chains. While the proposed approach successfully explains the viscoelastic properties of a large number of semi-dilute solutions of polymers in their own oligomers, important discrepancies are found for semi-dilute entangled polymers in small-molecule......We study and model the linear viscoelastic properties of several entangled semi-dilute and concentrated solutions of linear chains of different molar masses and at different concentrations dissolved in their oligomers. We discuss the dilution effect of the oligomers on the entangled long chains....... In particular, we investigate the influence of both concentration and molar mass on the value of the effective dynamic dilution exponent determined from the level of the storage plateau at low and intermediate frequencies. We show that the experimental results can be quantitatively explained by considering...

  16. Excess molar volume and viscosity deviation for binary mixtures of polyethylene glycol dimethyl ether 250 with 1,2-alkanediols (C3-C6) at T = (293.15 to 323.15) K

    International Nuclear Information System (INIS)

    Parsa, Jalal Basiri; Haghro, Mahdieh Farshbaf

    2008-01-01

    In this work, density and viscosity have been determined for (polyethylene glycol dimethyl ether 250 + 1,2-propanediol, or 1,2-butanediol, or 1,2-pentanediol, or 1,2-hexanediol) binary systems over the whole concentration range at temperatures of (293.15, 303.15, 313.15, 323.15) K and atmospheric pressure. Experimental data of mixtures were used to calculate the excess molar volumes V E , and viscosity deviations Δη. These results were fitted by the Redlich-Kister polynomial relation to obtain the coefficients and standard deviations

  17. Indium flotation from hydrometallurgical solutions

    International Nuclear Information System (INIS)

    Sviridov, V.V.; Mal'tsev, G.I.; Petryakova, N.K.; Gomzikov, A.I.

    1980-01-01

    The principal possibility of flotation of indium small quantities (10 -4 gxion/l) is established from sulphuric-acid solutions of leaching converter dusts of the copper melting production in the form of complex compounds with sodium hexametaphosphate and cation-active nitrogen-containing surfactants. It is shown that the flotation process effectiveness is determined by the molar ratio of hexametaphosphate and collector introduced into the solution, solution oxidity and surfactant nature

  18. Association between Peritonsillar Abscess and Molar Caries

    Directory of Open Access Journals (Sweden)

    M Shayani Nasab

    2006-05-01

    Full Text Available Background: Peritonsillar abscess is the most common deep neck infections that are related with periodontal disease which has the same pathogenesis. We determined the relationship between peritonsillar infection and molar caries. Methods: In a cross-sectional study, 33 consecutive patients whom referred to Hamadan university clinic of otolaryngologic for peritonsillar abscess were examined by otolaryngologist and dentist who investigated relationship between peritonsillar infection and molar caries. Results: There were 27 males and 6 females with mean age 26.7+_7 years. The frequency caries on ipsilateral peritonsillar infection sides was in relation to molars caries on opposite sides (conterol group. This corrolation was significant with odds ratio 2.5. Conclusion: Molar caries were seen 2.5 times more likely to have peritonsillar infection compared with normal molar sides. Key Words: Peritonsillar abscess, Infection, Periodontal disease, Dental caries

  19. Solute-solvent interactions in chloroform solutions of halogenated symmetric double Schiff bases of 1,1'-bis(4-aminophenyl)cyclohexane at 308.15 K according to ultrasonic and viscosity data

    Science.gov (United States)

    Gangani, B. J.; Patel, J. P.; Parsania, P. H.

    2015-12-01

    The density, viscosity and ultrasonic speed (2 MHz) of chloroform solutions of halogenated symmetric double Schiff bases of 1,1'-bis(4-aminophenyl)cyclohexane were investigated at 308.15 K. Various acoustical parameters such as specific acoustical impedance ( Z), adiabatic compressibility ( Ka), Rao's molar sound function ( R m), van der Waals constant ( b), internal pressure (π), free volume ( V f), intermolecular free path length ( L f), classical absorption coefficient (α/ f 2)Cl) and viscous relaxation time (τ) were determine using ultrasonic speed ( U), viscosity (η) and density (ρ) data of Schiff bases solutions and correlated with concentration. Linear increase of Z, b, R, τ, and (α/ f 2)Cl except π (nonlinear) and linear decrease of Ka and L f except V f (nonlinear) with increasing concentration of Schiff bases suggested presence of strong molecular interactions in the solutions. The positive values of solvation number further supported strong molecular interactions in the solutions. The nature and position of halogen substituent also affected the strength of molecular interactions.

  20. Radiologic study of mandibular third molar of Korean youths

    International Nuclear Information System (INIS)

    Ahn, Hyung Kyu

    1982-01-01

    The author has made a study on the classification of the mandibular 3rd molars of Korean youths through dental radiography by means of Pell and Gregory's classification and on the prevalence of the dental caries of distal surface of the mandibular 2nd molar adjacent to the mandibular 3rd molars turned anteriorly. The results are as follow; 1. It was found that the largest case number was class I (272 cases, 52.9%) in the relation of the tooth to the ramus of the mandible and 2nd molar. 2. The mesio-angular position was the largest number (239 cases, 46.5%) in the relation of the long axis of the impacted mandibular 3rd molar to the long axis of the 2nd molar. 3. The mesio-angular position of class I was the largest number (140 cases, 27.2%) in the relation of the tooth to the ramus of the mandible and 2nd molar and the long axis of the impacted mandibular 3rd moral to the long axis of the 2nd molar. 4. The average angle of the long axis of mandibular 3rd molar in mesioangular position or horizontal position to the occlusal plane was 143 W 5. Mandibular 3rd molar with lesion such as dental cries or pericoronitis was 73 cases (14.2). 6. The caries incidence rate of the distal surface of the 2nd molar was about 3.1%.

  1. Third molar development: measurements versus scores as age predictor.

    Science.gov (United States)

    Thevissen, P W; Fieuws, S; Willems, G

    2011-10-01

    Human third molar development is widely used to predict chronological age of sub adult individuals with unknown or doubted age. For these predictions, classically, the radiologically observed third molar growth and maturation is registered using a staging and related scoring technique. Measures of lengths and widths of the developing wisdom tooth and its adjacent second molar can be considered as an alternative registration. The aim of this study was to verify relations between mandibular third molar developmental stages or measurements of mandibular second molar and third molars and age. Age related performance of stages and measurements were compared to assess if measurements added information to age predictions from third molar formation stage. The sample was 340 orthopantomograms (170 females, 170 males) of individuals homogenously distributed in age between 7 and 24 years. Mandibular lower right, third and second molars, were staged following Gleiser and Hunt, length and width measurements were registered, and various ratios of these measurements were calculated. Univariable regression models with age as response and third molar stage, measurements and ratios of second and third molars as predictors, were considered. Multivariable regression models assessed if measurements or ratios added information to age prediction from third molar stage. Coefficients of determination (R(2)) and root mean squared errors (RMSE) obtained from all regression models were compared. The univariable regression model using stages as predictor yielded most accurate age predictions (males: R(2) 0.85, RMSE between 0.85 and 1.22 year; females: R(2) 0.77, RMSE between 1.19 and 2.11 year) compared to all models including measurements and ratios. The multivariable regression models indicated that measurements and ratios added no clinical relevant information to the age prediction from third molar stage. Ratios and measurements of second and third molars are less accurate age predictors

  2. Micro computed tomography evaluation of the Self-adjusting file and ProTaper Universal system on curved mandibular molars.

    Science.gov (United States)

    Serefoglu, Burcu; Piskin, Beyser

    2017-09-26

    The aim of this investigation was to compare the cleaning and shaping efficiency of Self-adjusting file and Protaper, and to assess the correlation between root canal curvature and working time in mandibular molars using micro-computed tomography. Twenty extracted mandibular molars instrumented with Protaper and Self-adjusting file and the total working time was measured in mesial canals. The changes in canal volume, surface area and structure model index, transportation, uninstrumented area and the correlation between working-time and the curvature were analyzed. Although no statistically significant difference was observed between two systems in distal canals (p>0.05), a significantly higher amount of removed dentin volume and lower uninstrumented area were provided by Protaper in mesial canals (p<0.0001). A correlation between working-time and the canal-curvature was also observed in mesial canals for both groups (SAFr 2 =0.792, p<0.0004, PTUr 2 =0.9098, p<0.0001).

  3. Bilateral maxillary fused second and third molars: a rare occurrence.

    Science.gov (United States)

    Liang, Rui-Zhen; Wu, Jin-Tao; Wu, You-Nong; Smales, Roger J; Hu, Ming; Yu, Jin-Hua; Zhang, Guang-Dong

    2012-12-01

    This case report describes the diagnosis and endodontic therapy of maxillary fused second and third molars, using cone-beam computed tomography (CBCT). A 31-year-old Chinese male, with no contributory medical or family/social history, presented with throbbing pain in the maxillary right molar area following an unsuccessful attempted tooth extraction. Clinical examination revealed what appeared initially to be a damaged large extra cusp on the buccal aspect of the distobuccal cusp of the second molar. However, CBCT revealed that a third molar was fused to the second molar. Unexpectedly, the maxillary left third molar also was fused to the second molar, and the crown of an unerupted supernumerary fourth molar was possibly also fused to the apical root region of the second molar. Operative procedures should not be attempted without adequate radiographic investigation. CBCT allowed the precise location of the root canals of the right maxillary fused molar teeth to permit successful endodontic therapy, confirmed after 6 months.

  4. Autotransplantation of Mandibular Third Molar: A Case Report

    Directory of Open Access Journals (Sweden)

    Pabbati Ravi kumar

    2012-01-01

    Full Text Available Autogenous transplantation is a feasible, fast, and economical option for the treatment of nonsalvageable teeth when a suitable donor tooth is available. This paper presents successful autotransplantation of a mature mandibular left third molar (38 without anatomical variances is used to replace a mandibular left second molar (37. The mandibular second molar was nonrestorable due to extensive root caries and resorption of distal root. After extraction of mandibular second and third molars, root canal therapy was done for the third molar extraorally, and the tooth was reimplanted into the extracted socket of second molar site. After one year, clinical and radiographic examination revealed satisfactory outcome with no signs or symptoms suggestive of pathology. In selected cases, autogenous tooth transplantation, even after complete root formation of the donor tooth, may be considered as a practical treatment alternative to conventional prosthetic rehabilitation or implant treatment.

  5. Thermodynamic Calculation of Carbide Precipitate in Niobium Microalloyed Steels

    Institute of Scientific and Technical Information of China (English)

    XU Yun-bo; YU Yong-mei; LIU Xiang-hua; WANG Guo-dong

    2006-01-01

    On the basis of regular solution sublattice model, thermodynamic equilibrium of austenite/carbide in Fe-Nb-C ternary system was investigated. The equilibrium volume fraction, chemical driving force of carbide precipitates and molar fraction of niobium and carbon in solution at different temperatures were evaluated respectively. The volume fraction of precipitates increases, molar fraction of niobium dissolved in austenite decreases and molar fraction of carbon increases with decreasing the niobium content. The driving force increases with the decrease of temperature, and then comes to be stable at relatively low temperatures. The predicted ratio of carbon in precipitates is in good agreement with the measured one.

  6. Survival of sealants in molars affected by molar-incisor hypomineralization: 18-month follow-up

    Directory of Open Access Journals (Sweden)

    Camila Maria Bullio FRAGELLI

    2017-04-01

    Full Text Available Abstract The objective of this study was to evaluate the clinical survival of sealants applied in first permanent molars (FPMs affected by molar-incisor hypomineralization (MIH, at 18 months of follow-up. Forty-one first permanent molars were selected from 21 children, 6–8 years of age. MIH was classified by one calibrated examiner (kappa = 0.80 according to EAPD criteria. The inclusion criteria were fully erupted FPMs with MIH or sound FPMs (without MIH for which sealant treatment was indicated. The FPMs were assigned to two groups: CG (control group and HG (MIH group. Both groups were treated with sealant (FluroShield. Clinical follow-up was performed from baseline to 18 months to assess anatomical form, marginal adaptation, retention and presence of caries, according to criteria set by the United States Public Health Service-Modified, and was conducted by a blinded examiner (kappa = 0.80. The actuarial method was used to evaluate the survival of the sealants. The survival rates for the groups were compared using Fisher’s exact test (α = 5%. The cumulative survival rates were 81% at 1 month, 68.8% at 6 months, 68.8% at 12 months, and 62.6% at 18 months for CG, and 88% at 1 month, 84% at 6 months, 76% at 12 months, and 72% at 18 months for HG. No significant difference was found between the groups. The sealants in molars affected by MIH presented a survival rate similar to the sealants in the control, suggesting that sealants may be an adequate approach for preventing carious lesions in MIH-affected molars.

  7. Development of production methods of volume source by the resinous solution which has hardening

    CERN Document Server

    Motoki, R

    2002-01-01

    Volume sources is used for standard sources by radioactive measurement using Ge semiconductor detector of environmental sample, e.g. water, soil and etc. that require large volume. The commercial volume source used in measurement of the water sample is made of agar-agar, and that used in measurement of the soil sample is made of alumina powder. When the plastic receptacles of this two kinds of volume sources were damaged, the leakage contents cause contamination. Moreover, if hermetically sealing performance of volume source made of agar-agar fell, volume decrease due to an evaporation off moisture gives an error to radioactive measurement. Therefore, we developed the two type methods using unsaturated polyester resin, vinilester resin, their hardening agent and acrylicresin. The first type is due to dispersing the hydrochloric acid solution included the radioisotopes uniformly in each resin and hardening the resin. The second is due to dispersing the alumina powder absorbed the radioisotopes in each resin an...

  8. Osmotic and apparent molar properties of binary mixtures alcohol + 1-butyl-3-methylimidazolium trifluoromethanesulfonate ionic liquid

    International Nuclear Information System (INIS)

    González, Emilio J.; Calvar, Noelia; Domínguez, Ángeles; Macedo, Eugénia A.

    2013-01-01

    Highlights: ► Osmotic and physical properties of binary mixtures {alcohol + [BMim][TfO]} were measured. ► From experimental data, apparent molar properties and osmotic coefficients were calculated. ► The apparent properties were fitted using a Redlich–Meyer type equation. ► The osmotic coefficients were correlated using the Extended Pitzer model. -- Abstract: In this work, physical properties (densities and speeds of sound) for the binary systems {1-propanol, or 2-propanol, or 1-butanol, or 2-butanol, or 1-pentanol + 1-butyl-3-methylimidazolium trifluoromethanesulfonate} were experimentally measured from T = (293.15 to 323.15) K and at atmospheric pressure. These data were used to calculate the apparent molar volume and apparent molar isentropic compression which were fitted to a Redlich–Meyer type equation. This fit was used to obtain the corresponding apparent molar properties at infinite dilution. On the other hand, the osmotic and activity coefficients and vapor pressures of these binary mixtures were also determined at T = 323.15 K using the vapor pressure osmometry technique. The Extended Pitzer model of Archer was employed to correlate the experimental osmotic coefficients. From the parameters obtained in the correlation, the mean molal activity coefficients and the excess Gibbs free energy for the studied mixtures were calculated

  9. Solvation of ionic liquids based on N-alkyl-N-methylmorpholinium cations in N,N-dimethylformamide and dimethyl sulfoxide – A volumetric and acoustic study

    International Nuclear Information System (INIS)

    Marcinkowski, Łukasz; Szepiński, Emil; Kloskowski, Adam; Namieśnik, Jacek; Warmińska, Dorota

    2017-01-01

    Highlights: • V ϕ of DMSO and DMF solutions of [Mor1,R][BF 4 ] increase with increasing IL concentration at all investigated temperatures. • Ion–ion interaction are stronger for DMF solutions than corresponding for DMSO. • DMSO interacts more effectively with ionic liquids studied than DMF. • Obtained results are the consequence of the cation size of the ionic liquid. - Abstract: Apparent molar volumes and molar isentropic compressibilities for N-ethyl-N-methylmorpholinium and N-decyl-N-methylmorpholinium tetrafluoroborates in N,N-dimethylformamide (DMF) and dimethyl sulfoxide (DMSO) have been determined from density and speed of sound measurements over the temperature range T = (298.15, 303.15, 308.15, 313.15, 318.15 and 328.15) K at experimental pressure p = 0.1 MPa. This data has been used to calculate partial molar volumes and partial molar isentropic compressibilities at infinite dilution. The partial molar expansion coefficients and their secondary derivative have been estimated as well. The obtained results indicate that dimethyl sulfoxide interacts more effectively with ionic liquids studied than N,N-dimetylformamide and ion–ion interaction are stronger for N,N-dimetylformamide solutions than corresponding in dimethyl sulfoxide. Moreover the temperature dependence of the limiting apparent molar volumes and compressibilities is a result of temperature influence on the electrostriction effect, the ordering of a bulk solvent and number solvent molecules in the nearest presence of the salt.

  10. Managing molar-incisor hypomineralization: A systematic review.

    Science.gov (United States)

    Elhennawy, Karim; Schwendicke, Falk

    2016-12-01

    We systematically reviewed treatment modalities for MIH-affected molars and incisors. Trials on humans with ≥1 MIH molar/incisor reporting on various treatments were included. Two authors independently searched and extracted records. Sample-size-weighted annual failure rates were estimated where appropriate. The risk of bias was assessed using the Newcastle-Ottawa scale. Electronic databases (PubMed, Embase, Cochrane CENTRAL, Google Scholar) were screened, and hand searches and cross-referencing performed. Fourteen (mainly observational) studies were included. Ten trials (381 participants) investigated MIH-molars, four (139) MIH-incisors. For molars, remineralization, restorative or extraction therapies had been assessed. For restorative approaches, mean (SD) annual failure rates were highest for fissure sealants (12[6]%) and glass-ionomer restorations (12[2]%), and lowest for indirect restorations (1[3]%), preformed metal crowns (1.3 [2.1]%) and composite restorations (4[3]%). Ony study assessed extraction of molars in young patients (median age 8.2 years), the majority of them without malocclusions, but third molars in development. Spontaneous alignment of second molars was more frequent in the maxilla (55%) than the mandible (47%). For incisors, desensitizing agents successfully managed hypersensitivity. Micro-abrasion and composite veneers improved aesthetics. Few, mainly moderate to high-risk-studies investigated treatment of MIH. Remineralization or sealants seem suitable for MIH-molars with limited severity and/or hypersensitivity. For severe cases, restorations with composites or indirect restorations or preformed metal crowns seem suitable. Prior to tooth extraction as last resort factors like the presence of a general malocclusion, patients' age and the status of neighboring teeth should be considered. No recommendations can be given for MIH-incisors. Dentists need to consider the specific condition of each tooth and the needs and expectations of

  11. Crystal structure and thermochemical properties of 1-decylammonium hydrobromide (C10H21NH3Br)(s)

    International Nuclear Information System (INIS)

    Zhang Lijun; Di Youying; Lu Dongfei

    2011-01-01

    Highlights: → Crystal structure of 1-decylammonium hydrobromide was reported. → Lattice potential energy of the compound was obtained. → Molar volumes of the compound and its cation were obtained. → Ionic radius of its cation of the compound was calculated. → Molar enthalpy of dissolution at infinite dilution was determined. → Hydration enthalpies of the compound and its cation were calculated. - Abstract: The crystal structure of 1-decylammonium hydrobromide was determined by X-ray crystallography. Lattice potential energy and molar volumes of the solid compound and its cation were obtained respectively. The ionic radius of the cation can be calculated from the corresponding effective volume of the cation. The molar enthalpies of dissolution of the compound at different concentrations m/(mol . kg -1 ) at T = 298.15 K were measured by an isoperibol solution-reaction calorimeter at T = 298.15 K. According to the Pitzer's electrolyte solution theory, the molar enthalpy of dissolution of the compound at infinite dilution (Δ s H m ∞ ) and Pitzer parameters (β MX (0)L and β MX (1)L ) were obtained. The values of apparent relative molar enthalpies ( Φ L) of the title compound and relative partial molar enthalpies (L 2 -bar and L 1 -bar) of the solute and the solvent at different concentrations were derived from the experimental values of the enthalpy of dissolution of the compound. Finally, hydration enthalpies of the compound and its cation were calculated by designing a thermochemical cycle in accordance with lattice potential energy and the molar enthalpy of dissolution of the title compound at infinite dilution.

  12. Properties of L-ascorbic acid in water and binary aqueous mixtures of D-glucose and D-fructose at different temperatures

    Science.gov (United States)

    Sharma, Ravi; Thakur, R. C.; Sani, Balwinder; Kumar, Harsh

    2017-12-01

    Using density and sound velocity partial molar volumes, partial molar adiabatic compressibilities, partial molar expansibilities and structure of L-ascorbic acid have been determined in water and aqueous mixtures of D-glucose and D-fructose at different concentrations and temperatures. Masson's equation was used to analyze the measured data. The obtained parameters have been interpreted in terms of solute-solute and solute-solvent interactions. It is found that the L-ascorbic acid acts as structure breaker in water as well in binary studied mixtures.

  13. A comparison study between sodium dodecyl sulfate and sodium dodecyl sulfonate with respect to the thermodynamic properties, micellization, and interaction with poly(ethylene glycol) in aqueous solutions

    International Nuclear Information System (INIS)

    Sadeghi, Rahmat; Shahabi, Somayyeh

    2011-01-01

    Graphical abstract: Apparent molar volume against molality: o, ·, and Δ, respectively in water, (1 and 4) wt% PEG solution at 293.15 K; x, Δ, and lozenge, respectively in water, (1 and 4) wt% PEG solution at 313.15 K. Research highlights: → C 12 H 25 SO 3 Na(SDSn) was seen to interact with PEG more weakly than C 12 H 25 SO 4 Na(SDS). → The constraints on molecular mobility of SDS micelles are larger than those of SDSn. → Entropy change on micellization for SDSn is larger than those for SDS. → Micelle formation of SDS is less endothermic and more spontaneous than that of SDSn. → Micelles of SDS have smaller aggregation number than that of SDSn. - Abstract: The density, sound velocity, and conductivity measurements were performed on aqueous solutions of sodium dodecyl sulfate (C 12 H 25 SO 4 Na) or sodium dodecyl sulfonate (C 12 H 25 SO 3 Na) in the absence and presence of poly(ethylene glycol) (PEG) at different temperatures. Changes in the apparent molar volumes and isentropic compressibilities upon micellization were derived using a pseudophase-transition approach and the infinite dilution apparent molar properties of the monomer and micellar form of C 12 H 25 SO 4 Na and C 12 H 25 SO 3 Na were determined. Variations of the critical micelle concentrations (CMCs) of both surfactants in the solutions investigated with temperature were obtained from which thermodynamic parameters of micellization were estimated. It was found that at low temperature the micelle formation process is endothermic and therefore, this process must be entropically driven. However, upon increasing the temperature, the enthalpic factor becomes more significant and, at temperatures higher than 303.15 K the micellization is enthalpy driven. The interactions between C 12 H 25 SO 4 Na/C 12 H 25 SO 3 Na and PEG were studied and it was found that sodium alkyl sulfonates were seen to interact more weakly than their sulfate analogues.

  14. Molecular interactions in ethyl acetate-chlorobenzene binary solution: Dielectric, spectroscopic studies and quantum chemical calculations

    Science.gov (United States)

    Karthick, N. K.; Kumbharkhane, A. C.; Joshi, Y. S.; Mahendraprabu, A.; Shanmugam, R.; Elangovan, A.; Arivazhagan, G.

    2017-05-01

    Dielectric studies using Time Domain Reflectometry method has been carried out on the binary solution of Ethyl acetate (EA) with Chlorobenzene (CBZ) over the entire composition range. Spectroscopic (FTIR and 13C NMR) signatures of neat EA, CBZ and their equimolar binary solution have also been recorded. The results of the spectroscopic studies favour the presence of (CBZ) Csbnd H ⋯ Odbnd C (EA), (EA) methylene Csbnd H ⋯ π electrons (CBZ) and (EA) methyl Csbnd H ⋯ Cl (CBZ) contacts which have been validated using quantum chemical calculations. Dimerization of CBZ has been identified. Presence of β-clusters has been identified in all the solutions. Although EA and CBZ molecules have nearly equal molar volumes, CBZ molecules experience larger hindrance for the rotation than EA molecules. Very small excess dielectric constant (εE) values may be correlated with weak heteromolecular forces and/or closed heteromolecular association.

  15. A Molar Pregnancy within the Fallopian Tube

    Directory of Open Access Journals (Sweden)

    Laura Allen

    2016-01-01

    Full Text Available Background. Discussion of the incidence of molar pregnancy and ectopic pregnancy. Role of salpingostomy and special considerations for postoperative care. Case. The patient is a 29-year-old G7P4 who presented with vaginal bleeding in the first trimester and was initially thought to have a spontaneous abortion. Ultrasound was performed due to ongoing symptoms and an adnexal mass was noted. She underwent uncomplicated salpingostomy and was later found to have a partial molar ectopic pregnancy. Conclusion. This case illustrates the rare occurrence of a molar ectopic pregnancy. There was no indication of molar pregnancy preoperatively and this case highlights the importance of submitting and reviewing pathological specimens.

  16. Taking advantage of an unerupted third molar: a case report

    Directory of Open Access Journals (Sweden)

    Igor Figueiredo Pereira

    Full Text Available ABSTRACT Introduction: Treatments with dental surgery seek to displace tooth to the correct position within the dental arch. Objective: To report a clinical case that took advantage of an unerupted third molar. Case history: A male patient, 18 years of age, was referred by his dentist to evaluate the third molars. The clinical exam revealed no visible lower third molars. The computed tomography (CT exam showed the presence of a supernumerary tooth in the region of the mandibular ramus, on the left side, and impaction of the third molar, which was causing root resorption on the second molar, thus making it impossible to remain in the buccal cavity. The preferred option, therefore, was to remove both second molar and the supernumerary tooth, in addition to attaching a device to the third molar during surgery for further traction. Results: After 12 months, the third molar reached the proper position. Conclusion: When a mandibular second permanent molar shows an atypical root resorption, an impacted third molar can effectively substitute the tooth by using an appropriate orthodontic-surgical approach.

  17. Prevalence of cheese molars in eleven-year-old Dutch children.

    Science.gov (United States)

    Weerheijm, K L; Groen, H J; Beentjes, V E; Poorterman, J H

    2001-01-01

    In the Netherlands, first permanent molars with idiopathic enamel disturbances (IED) are called cheese molars. Though concern is expressed about their prevalence, adequate figures on the subject are missing. The porous enamel of cheese molars can be very sensitive to cold air and can decay rapidly. The aim of the present study was to investigate the prevalence in eleven-year-old Dutch children of cheese molars (IED). During an epidemiological study performed in four cities in the Netherlands, the first permanent molars and central incisors of eleven-year-old children were examined for hypoplasia, opacities, posteruptive enamel loss, premature extraction, and atypical restorations. The observation of a hypoplasia excluded the possibility of cheese molar. A total of 497 children were examined. Six percent (n = 128) of the molars (n = 1988) showed signs of IED (cheese molars), 10 percent of the children had cheese molars of which 8 percent two or more. Incisors (4 percent) with opacities were found in 3 percent in combination with two or more cheese molars. Among the four cities, no significant differences in occurrence were found. The results of this study showed that in 10 percent of the Dutch children eleven years of age, cheese molars (IED) were found. The cause for the phenomenon called cheese molars appears to be child centered. Further studies on prevalence, causes and prevention are mandatory.

  18. The role of microbial iron reduction in the formation of Proterozoic molar tooth structures

    Science.gov (United States)

    Hodgskiss, Malcolm S. W.; Kunzmann, Marcus; Poirier, André; Halverson, Galen P.

    2018-01-01

    Molar tooth structures are poorly understood early diagenetic, microspar-filled voids in clay-rich carbonate sediments. They are a common structure in sedimentary successions dating from 2600-720 Ma, but do not occur in rocks older or younger, with the exception of two isolated Ediacaran occurrences. Despite being locally volumetrically significant in carbonate rocks of this age, their formation and disappearance in the geological record remain enigmatic. Here we present iron isotope data, supported by carbon and oxygen isotopes, major and minor element concentrations, and total organic carbon and sulphur contents for 87 samples from units in ten different basins spanning ca. 1900-635 Ma. The iron isotope composition of molar tooth structures is almost always lighter (modal depletion of 2‰) than the carbonate or residue components in the host sediment. We interpret the isotopically light iron in molar tooth structures to have been produced by dissimilatory iron reduction utilising Fe-rich smectites and Fe-oxyhydroxides in the upper sediment column. The microbial conversion of smectite to illite results in a volume reduction of clay minerals (∼30%) while simultaneously increasing pore water alkalinity. When coupled with wave loading, this biogeochemical process is a viable mechanism to produce voids and subsequently precipitate carbonate minerals. The disappearance of molar tooth structures in the mid-Neoproterozoic is likely linked to a combination of a decrease in smectite abundance, a decline in the marine DIC reservoir, and an increase in the concentration of O2 in shallow seawater.

  19. Influence of pressure and temperature on molar volume and retention properties of peptides in ultra-high pressure liquid chromatography.

    Science.gov (United States)

    Fekete, Szabolcs; Horváth, Krisztián; Guillarme, Davy

    2013-10-11

    In this study, pressure induced changes in retention were measured for model peptides possessing molecular weights between ∼1 and ∼4kDa. The goal of the present work was to evaluate if such changes were only attributed to the variation of molar volume and if they could be estimated prior to the experiments, using theoretical models. Restrictor tubing was employed to generate pressures up to 1000bar and experiments were conducted for mobile phase temperatures comprised between 30 and 80°C. As expected, the retention increases significantly with pressure, up to 200% for glucagon at around 1000bar compared to ∼100bar. The obtained data were fitted with a theoretical model and the determination coefficients were excellent (r(2)>0.9992) for the peptides at various temperatures. On the other hand, the pressure induced change in retention was found to be temperature dependent and was more pronounced at 30°C vs. 60 or 80°C. Finally, using the proposed model, it was possible to easily estimate the pressure induced increase in retention for any peptide and mobile phase temperature. This allows to easily estimating the expected change in retention, when increasing the column length under UHPLC conditions. Copyright © 2013 Elsevier B.V. All rights reserved.

  20. External and internal anatomy of third molars.

    Science.gov (United States)

    Guerisoli, D M; de Souza, R A; de Sousa Neto, M D; Silva, R G; Pécora, J D

    1998-01-01

    The external and internal anatomy of 269 third molars (155 maxillary and 114 mandibular) were studied. The teeth were measured, classified according to their root number and shape and the internal anatomy was observed by the use of diaphanization. A great anatomical variability was found, with the presence of up to 5 roots in maxillary third molars and 3 roots in mandibular third molars. The number of root canals followed the same pattern.

  1. Thermodynamic study of three pharmacologically significant drugs: Density, viscosity, and refractive index measurements at different temperatures

    International Nuclear Information System (INIS)

    Iqbal, Muhammad Javed; Chaudhry, Mansoora Ahmed

    2009-01-01

    Measurements of density, viscosity, and refractive index of three pharmacologically significant drugs, i.e. diclofenac sodium, cetrizine, and doxycycline have been carried in aqueous medium at T = (293.15 to 313.15) K. An automated vibrating-tube densimeter, viscometer, and refractometer are used in a concentration range from (7.5) . 10 -3 to 25 . 10 -3 ) mol . kg -1 . The precise density results are used to evaluate the apparent molar volume, partial molar volume, thermal expansion coefficient, partial molar expansivity, and the Hepler's constant. Viscosity results are used to calculate the Jones-Dole viscosity B-coefficient, free energy of activation of the solute and solvent, activation enthalpy, and activation entropy. The molar refractive indices of the drug solutions can be employed to calculate molar refraction. It is inferred from these results that the above mentioned drugs act as structure-making compounds due to hydrophobic hydration of the molecules in the drugs

  2. Effects of Two Different Anesthetic Solutions on Injection Pain, Efficacy, and Duration of Soft-Tissue Anesthesia with Inferior Alveolar Nerve Block for Primary Molars.

    Science.gov (United States)

    Elbay, Ülkü Şermet; Elbay, Mesut; Kaya, Emine; Yıldırım, Sinem

    The purpose of the study was to compare the efficacy, injection pain, duration of soft tissue anesthesia, and postoperative complications of two different anesthetics (2% lidocaine with 1:80,000 epinephrine and 3% plain mepivacaine) in pediatric patients in inferior alveolar nerve block (IANB) administered by a computer-controlled delivery system (CCDS). The study was conducted as a randomized, controlled-crossover, double-blind clinical trial with 60 children requiring bilateral pulpotomy or extraction of primary mandibular molars. A CCDS was used to deliver 3% mepivacaine to 1 primary tooth and 2% lidocaine to the contralateral tooth with an IANB technique. Severity of pain and efficacy of anesthesia were evaluated using the Face, Legs, Activity, Cry, Consolability Scale, and comfort and side effects were assessed using a questionnaire. Data were analyzed using the Mann-Whitney U, Wilcoxon t, and Fisher exact tests. Patients receiving 2% lidocaine experienced significantly less pain during injection than those receiving 3% mepivacaine, and no significant differences were found in the pain scores during treatments or in postoperative complications between the two anesthetics. The mean durations of anesthesia for 3% mepivacaine and 2% lidocaine were 139.68 minutes and 149.10 minutes, respectively. Plain mepivacaine and 2% lidocaine were similarly effective in pulpotomy and the extraction of primary mandibular molars. Although the use of 3% mepivacaine provided a shorter duration of anesthesia than 2% lidocaine, both solutions showed similar results in terms of postoperative complications.

  3. Volumetric and viscometric properties of binary and ternary mixtures of 1-butyl-3-methylimidazolium tetrafluoroborate, monoethanolamine and water

    International Nuclear Information System (INIS)

    Yin, Yaran; Zhu, Chunying; Ma, Youguang

    2016-01-01

    Highlights: • Densities and viscosities of [Bmim][BF 4 ] + MEA + H 2 O solutions were measured. • Volumetric and viscometric properties were deduced from experimental results. • Intermolecular interactions were analysed by volumetric and viscometric properties. - Abstract: Densities and viscosities of binary {[Bmim][BF 4 ] + H 2 O}, {[Bmim][BF 4 ] + MEA}, (MEA + H 2 O) and ternary mixtures {[Bmim][BF 4 ] + MEA + H 2 O} were measured at T = (293.15–333.15) K. The volumetric and viscometric properties, such as excess molar volume V E , viscosity deviation Δη, and excess Gibbs energy of activation of viscous flow ΔG ∗E for all mixtures, and apparent molar volume, excess partial molar volume and Grunberg-Nissan interaction parameter G 12 for binary mixtures, were deduced from experimental results, and the intermolecular interactions in solutions were also analysed. The excess molar volumes were correlated using the Redlich-Kister polynomial equation for binary mixtures, and Singh et al. equation for the ternary mixture with corresponding binary parameters. The viscosities of binary and ternary solutions were respectively fitted by Jouyban-Acree equation and its extended equation at each measurement temperature, the correlated values are in good agreement with the corresponding experimental data.

  4. A meta-analysis of randomized controlled trials of low-volume polyethylene glycol plus ascorbic acid versus standard-volume polyethylene glycol solution as bowel preparations for colonoscopy.

    Directory of Open Access Journals (Sweden)

    Qingsong Xie

    Full Text Available BACKGROUND: Standard-volume polyethylene glycol (PEG gut lavage solutions are safe and effective, but they require the consumption of large volumes of fluid. A new lower-volume solution of PEG plus ascorbic acid has been used recently as a preparation for colonoscopy. AIM: A meta-analysis was performed to compare the performance of low-volume PEG plus ascorbic acid with standard-volume PEG as bowel preparation for colonoscopy. STUDY: Electronic and manual searches were performed to identify randomized controlled trials (RCTs that compared the performance of low-volume PEG plus ascorbic acid with standard-volume PEG as bowel preparation for colonoscopy. After a methodological quality assessment and data extraction, the pooled estimates of bowel preparation efficacy during bowel cleansing, compliance with preparation, willingness to repeat the same preparation, and the side effects were calculated. We calculated pooled estimates of odds ratios (OR by fixed- and/or random-effects models. We also assessed heterogeneity among studies and the publication bias. RESULTS: Eleven RCTs were identified for analysis. The pooled OR for preparation efficacy during bowel cleansing and for compliance with preparation for low-volume PEG plus ascorbic acid were 1.08 (95% CI = 0.98-1.28, P = 0.34 and 2.23 (95% CI = 1.67-2.98, P<0.00001, respectively, compared with those for standard-volume PEG. The side effects of vomiting and nausea for low-volume PEG plus ascorbic acid were reduced relative to standard-volume PEG. There was no significant publication bias, according to a funnel plot. CONCLUSIONS: Low-volume PEG plus ascorbic acid gut lavage achieved non-inferior efficacy for bowel cleansing, is more acceptable to patients, and has fewer side effects than standard-volume PEG as a bowel preparation method for colonoscopy.

  5. Micro-computed tomography study of the internal anatomy of mesial root canals of mandibular molars.

    Science.gov (United States)

    Villas-Bôas, Marcelo Haas; Bernardineli, Norberti; Cavenago, Bruno Cavalini; Marciano, Marina; Del Carpio-Perochena, Aldo; de Moraes, Ivaldo Gomes; Duarte, Marco H; Bramante, Clovis M; Ordinola-Zapata, Ronald

    2011-12-01

    The aim of this study was to determine the mesiodistal and buccolingual diameter, apical volume, and the presence of isthmuses at the apical level of mesial root canals of mandibular molars. Sixty extracted first and second mandibular molars were scanned by using a SkyScan 1076 micro-computed tomography system with a voxel size of 18 μm. The apical thirds of the samples were reconstructed to allow a perpendicular section of the apical third by using the multiplanar reconstruction tool of the OsiriX software. The mesiodistal and the buccolingual distances of root canals were measured between the 1- to 4-mm levels. The type of root canal isthmuses present at these levels was classified by using modified criteria of Hsu and Kim. The volume of the root canal anatomy between the 1- to 3-mm apical levels was obtained by using the CTAN-CTVOL software. The medians of the mesiodistal diameter at the 1-, 2-, 3-, and 4-mm levels in the mesiobuccal and mesiolingual canals were 0.22 and 0.23 mm, 0.27 and 0.27 mm, 0.30 and 0.30 mm, and 0.36 and 0.35 mm, respectively. The buccolingual lengths at the 1-, 2-, 3-, and 4-mm levels were 0.37-0.35 mm, 0.55-0.41 mm, 0.54-0.49 mm, and 0.54 and 0.60 mm, respectively. The presence of isthmuses was more prevalent at the 3- to 4-mm level. However, 27 cases presented complete or incomplete isthmuses at the 1-mm apical level. The mean of the volume of the apical third was 0.83 mm(3), with a minimum value of 0.02 and a maximum value of 2.4 mm(3). Mesial root canals of mandibular molars do not present a consistent pattern. A high variability of apical diameters exists. The presence of isthmuses at the apical third was not uncommon even at the 1-mm apical level. Copyright © 2011 American Association of Endodontists. Published by Elsevier Inc. All rights reserved.

  6. 上颌窦气化与上颌第一磨牙的相关性分析%The correlation between maxillary sinus aeration and maxillary molars: A CT image analysis

    Institute of Scientific and Technical Information of China (English)

    周泉生; 胡志; 孙大明; 刘成蛟; 李兴花

    2017-01-01

    AIM:To investigate the relationship between the aeration of maxillary sinus and maxillary molars.METHODS:The CT images of 50 patients with normal sinus(n =100) were analyzed retrospectively.The volume of maxillary sinus,the length of the first maxillary molar and its corresponding alveolar bone height and width were measured.The molars were divided into embedded and non-embedded types.The conelations between the molar length,the volume of maxillary sinus and the mass of alveolar bone were statistically analyzed.RESULTS:The average volume of maxillary sinus was (13.56 ± 5.63) mL,alveolar bone height and width were (11.35 ± 4.09) mm and (14.83 ± 1.56) mm respectively,the first molar length was (18.88 ± 2.69) mm.There was no correlation between the length of maxillary molars and the volume of maxillary sinus and alveolar bone mass (P > 0.05).No difference of the molar length was found between the embedded and non-embedded molars (P > 0.05).The volume of maxillary sinus in the embedded group was greater than that in the non-embedded group (P <0.05) and the alveolar bone mass in embedded group was less than that in the non-embedded group (P < 0.05).CONCLUSION:The maxillary molar has no significant correlation with the volume of maxillary sinus and the alveolar bone mass.But for maxillary sinus with obvious aeration,the probability of molar protrusion into the maxillary sinus increases.%目的:探讨上颌窦气化与上颌第一磨牙的关系.方法:回顾性分析50例(100个上颌第一磨牙)副鼻窦CT检查正常的患者影像资料,测量上颌窦容积、上颌第一磨牙长度以及对应牙槽骨的高度和宽度;并将第一磨牙分为嵌入型和非嵌入型,分析两组间差异以及上颌第一磨牙长度与上颌窦容积、牙槽骨骨量的相关性.结果:50例(100个)正常上颌窦平均容积(13.56 5.63) mL,牙槽骨高度(11.35±4.09) mm,牙槽骨宽度(14.83±1.56)mm,第一磨牙长度(18.88 ±2.69) mm

  7. Image analysis of the eruptive positions of third molars and adjacent second molars as indicators of age evaluation in Thai patients.

    Science.gov (United States)

    Mahasantipiya, Phattaranant May; Pramojanee, Sakarat; Thaiupathump, Trasapong

    2013-12-01

    This study was performed to determine the relationship between the stage of tooth eruption (both vertical and mesio-angular) and chronological age. Indirect digital panoramic radiographs were used to measure the distances from the dentinoenamel junction (DEJ) of the second molars to the occlusal plane of the second molar teeth and of the adjacent third molars in 264 Thai males and 437 Thai females using ImageJ software. The ratio of those distances was calculated by patient age, and the correlation coefficient of the ratio of the third molar length to the second molar length was calculated. The correlation between the height of the vertically erupted upper third molar teeth and age was at the intermediate level. The age range of ≥15 to age determined from the eruptional height and actual chronological age was statistically significant. The mean age of the female subjects, in which the position of the right upper third molar teeth was at or above the DEJ of the adjacent second molar but below one half of its coronal height was 19.9±2.6 years. That for the left side was 20.2±2.7 years. The mean ages of the male subjects were 20.1±3.3 years and 19.8±2.7 years for the right and left sides, respectively. It might be possible to predict chronological age from the eruption height of the wisdom teeth.

  8. [Orthodontic Management of the Impacted Mandibular Second Molar Tooth].

    Science.gov (United States)

    Mah, Michael; Takada, Kenji

    2016-09-01

    When the mandibular permanent second molar becomes impacted, it is identified as a malocclusion that needs treatment as it often leads to unwanted complications such as caries and periodontitis of the adjacent permanent first molar. Other less common complications include root resorption of the adjacent first molar root or continued root development to be in close proximity to the inferior dental alveolar nerve. This paper seeks to differentiate various levels of severity of impaction and review treatment options that are considered clinically available for the proper management of the impacted mandibular permanent second molar. Treatment options that will be discussed in this article include timing of second molar removal for replacement by the third molar, relief of impaction via second premolar removal, surgical repositioning and the combination of third molar removal, surgical exposure and orthodontic uprighting of the impacted tooth. Depending on the severity of the impaction, most impactions can be easily and predictably corrected with nickel titanium archwires or auxillary open coil springs or uprighting springs. Uncommonly, the mandibular permanent second molar can become severely impacted and in close proximity to the inferior dentoalveolar nerve. In these instances, the use of temporary anchorage devices such as microimplants has shown to be successful in uprighting the severely impacted mandibular permanent second molars. © EDP Sciences, SFODF, 2016.

  9. Epidemiological Status of Third Molars in an Iranian Population

    Directory of Open Access Journals (Sweden)

    Mahnaz Sheikhi

    2016-07-01

    Full Text Available Background Impaction of third molars is a common phenomenon. The incidence of impacted third molars varies in different populations. Objectives The aim of this study is to assess radiographic status (root development degree, angulation, and eruption level of the third molar in Iranian population via panoramic radiographs. Patients and Methods 647 patients, ranging in age from 17 - 25, were selected from three regions of Iran. Based on their panoramic radiographs, their root development degree, angulation, and eruption levels were analyzed. Results The angulation of upper third molars were vertical (44.6%, distoangular (44.1%, mesioangular (10.7%, and horizontal (0.6%. For lower third molars, the angulation was mesioangular (44.5%, vertical (33.8%, distoangular (12.2%, and horizontal (9.5%. The eruption levels of maxillary third molars were C > A> B, and for mandibular third molars they were A > B> C. The order of root development prevalence of the maxillary and mandibular third molars was complete > 2/3 > 1/3. Conclusions The most common status of impaction of the third molars in the maxilla was vertical angulation, level C of eruption, and complete root formation. In the mandible it was mesioangular, level A of eruption, and complete root formation. Since the study sample consists of patients from the north, middle, and south of Iran, the sample can represent the whole population of Iran.

  10. Root growth during molar eruption in extant great apes.

    Science.gov (United States)

    Kelley, Jay; Dean, Christopher; Ross, Sasha

    2009-01-01

    While there is gradually accumulating knowledge about molar crown formation and the timing of molar eruption in extant great apes, very little is known about root formation during the eruption process. We measured mandibular first and second molar root lengths in extant great ape osteological specimens that died while either the first or second molars were in the process of erupting. For most specimens, teeth were removed so that root lengths could be measured directly. When this was not possible, roots were measured radiographically. We were particularly interested in the variation in the lengths of first molar roots near the point of gingival emergence, so specimens were divided into early, middle and late phases of eruption based on the number of cusps that showed protein staining, with one or two cusps stained equated with immediate post-gingival emergence. For first molars at this stage, Gorilla has the longest roots, followed by Pongo and Pan. Variation in first molar mesial root lengths at this stage in Gorilla and Pan, which comprise the largest samples, is relatively low and represents no more than a few months of growth in both taxa. Knowledge of root length at first molar emergence permits an assessment of the contribution of root growth toward differences between great apes and humans in the age at first molar emergence. Root growth makes up a greater percentage of the time between birth and first molar emergence in humans than it does in any of the great apes. Copyright (c) 2009 S. Karger AG, Basel.

  11. One year Survival Rate of Ketac Molar versus Vitro Molar for Occlusoproximal ART Restorations: a RCT

    Directory of Open Access Journals (Sweden)

    PACHECO Anna Luisa de Brito

    2017-11-01

    Full Text Available Abstract Good survival rates for single-surface Atraumatic Restorative Treatment (ART restorations have been reported, while multi-surface ART restorations have not shown similar results. The aim of this study was to evaluate the survival rate of occluso-proximal ART restorations using two different filling materials: Ketac Molar EasyMix (3M ESPE and Vitro Molar (DFL. A total of 117 primary molars with occluso-proximal caries lesions were selected in 4 to 8 years old children in Barueri city, Brazil. Only one tooth was selected per child. The subjetcs were randomly allocated in two groups according to the filling material. All treatments were performed following the ART premises and all restorations were evaluated after 2, 6 and 12 months. Restoration survival was evaluated using Kaplan-Meier survival analysis and Log-rank test, while Cox regression analysis was used for testing association with clinical factors (α = 5%. There was no difference in survival rate between the materials tested, (HR = 1.60, CI = 0.98–2.62, p = 0.058. The overall survival rate of restorations was 42.74% and the survival rate per group was Ketac Molar = 50,8% and Vitro Molar G2 = 34.5%. Cox regression test showed no association between the analyzed clinical variables and the success of the restorations. After 12 months evaluation, no difference in the survival rate of ART occluso-proximal restorations was found between tested materials.

  12. Mandibular molar crown-topography, a biological predisposing ...

    African Journals Online (AJOL)

    Mandibular molar crown-topography, a biological predisposing factor to development of caries – a post-mortem analysis of 2500 extracted lower permanent molars at the dental centre, University of Benin teaching hospital.

  13. Free volume of mixed cation borosilicate glass sealants elucidated by positron annihilation lifetime spectroscopy and its correlation with glass properties

    Science.gov (United States)

    Ojha, Prasanta K.; Rath, Sangram K.; Sharma, Sandeep K.; Sudarshan, Kathi; Pujari, Pradeep K.; Chongdar, Tapas K.; Gokhale, Nitin M.

    2015-01-01

    The role of La+3/Sr+2 ratios, which is varied from 0.08 to 5.09, on density, molar volume, packing fraction, free volume, thermal and electrical properties in strontium lanthanum aluminoborosilicate based glass sealants intended for solid oxide fuel cell (SOFC) applications is evaluated. The studies reveal expansion of the glass network evident from increasing molar volume and decreasing packing fraction of glasses with progressive La+3 substitutions. The molecular origin of these macroscopic structural features can be accounted for by the free volume parameters measured from positron annihilation lifetime spectroscopy (PALS). The La+3 induced expanded glass networks show increased number of subnanoscopic voids with larger sizes, as revealed from the ortho-positronium (o-Ps) lifetime and its intensity. A remarkably direct correspondence between the molar volume and fractional free volume trend is established with progressive La2O3 substitution in the glasses. The effect of these structural changes on the glass transition temperature, softening temperature, coefficient of thermal expansion, thermal stability as well as electrical conductivity has been studied.

  14. Infinitely dilute partial molar properties of proteins from computer simulation.

    Science.gov (United States)

    Ploetz, Elizabeth A; Smith, Paul E

    2014-11-13

    A detailed understanding of temperature and pressure effects on an infinitely dilute protein's conformational equilibrium requires knowledge of the corresponding infinitely dilute partial molar properties. Established molecular dynamics methodologies generally have not provided a way to calculate these properties without either a loss of thermodynamic rigor, the introduction of nonunique parameters, or a loss of information about which solute conformations specifically contributed to the output values. Here we implement a simple method that is thermodynamically rigorous and possesses none of the above disadvantages, and we report on the method's feasibility and computational demands. We calculate infinitely dilute partial molar properties for two proteins and attempt to distinguish the thermodynamic differences between a native and a denatured conformation of a designed miniprotein. We conclude that simple ensemble average properties can be calculated with very reasonable amounts of computational power. In contrast, properties corresponding to fluctuating quantities are computationally demanding to calculate precisely, although they can be obtained more easily by following the temperature and/or pressure dependence of the corresponding ensemble averages.

  15. Morphometric evaluation of external root resorption of mandibular second molar teeth adjacent to the impacted third molars in CBCT imaging of Tehran\\'s population between 2011-2014

    Directory of Open Access Journals (Sweden)

    Fatemeh Ezoddini Ardakani

    2017-04-01

    Full Text Available Introduction: Presence of external root resorption in second molars associated with impacted mandibular third molars was not rare. The neglect of this issue may leads to penetration of the pulp and loss of the second molars. The aim of this study was to investigate the incidence and risk factors affecting the external root resorption in second molars associated with mandibular impacted third molars were inclined mesially and horizontally by Cone Beam Computer Tomography (CBCT images. Methods: In this cross sectional study the samples consisted of 231 scans with mesially and horizontally impacted mandibular third molars. Incidence of external root resorption of second molars and the effects of age, gender and clinical parameters such as location and intensity of external root resorption were considered. Moreover, depth and inclination of impacted mandibular third molar were evaluated by CBCT. The data were analyzed by Chi-square test. Results: The overall incidence of external root resorption in the second molars was 22.08%. Incidence of external root resorption in second molars was significantly related to gender and inclination of third molar. The relations between external root resorption and impaction depth of third molar or the patient's age was not statistically significant. However, the relationship between external root resorption and the intensity or depth of impacted third molar and location of root resorption was statistically meaningful. Conclusion: Patient’s gender and horizontal inclination of third molars are the most important factors affecting the presence of external root resorption in the second molars associated with mesially and horizontally impacted mandibular third molars.

  16. Predicting pathology in impacted mandibular third molars

    Directory of Open Access Journals (Sweden)

    Aveek Mukherji

    2017-01-01

    Full Text Available Introduction: The rising incidence of the impacted mandibular third molars and their association with pathologies is now considered a public health problem. Aims and Objectives: The objective of this study was to assess the position of impacted mandibular third molars that are prone to developing pathologies and to determine the frequency and type of pathological conditions associated with these impacted teeth to facilitate planning for their prophylactic removal. Materials and Methods: Consecutive panoramic radiographs and clinical examination of 300 patients with impacted mandibular third molars were collected. They were segregated according to Pell and Gregory’s classification, Winter’s classification, and according to their state of eruption. These were correlated with associated pathologies based on clinical and radiological criteria. Statistical Analysis Used: Descriptive statistics included computation of percentages, mean, and standard deviations. The statistical test applied for the analysis was Pearson’s Chi-square test (χ2. For this test, confidence interval and P value were set at 93% and ≤0.03, respectively. Results: The pathology most commonly associated with impacted third molars was pericoronitis, which had the highest frequency of occurrence in partially erupted, distoangular, and IA positioned (as per Pell and Gregory classification impacted teeth. Impacted mandibular third molars, which were in IA position, placed mesially, and partially erupted, were prone to develop pathologies such as dental caries and periodontitis. Conclusion: The clinical and radiographical features of impacted third molar may be correlated to the development of their pathological complications. The partially impacted mandibular third molars with mesioangularly aligned in IA position have the highest potential to cause pathological complications.

  17. A finite volume method for cylindrical heat conduction problems based on local analytical solution

    KAUST Repository

    Li, Wang

    2012-10-01

    A new finite volume method for cylindrical heat conduction problems based on local analytical solution is proposed in this paper with detailed derivation. The calculation results of this new method are compared with the traditional second-order finite volume method. The newly proposed method is more accurate than conventional ones, even though the discretized expression of this proposed method is slightly more complex than the second-order central finite volume method, making it cost more calculation time on the same grids. Numerical result shows that the total CPU time of the new method is significantly less than conventional methods for achieving the same level of accuracy. © 2012 Elsevier Ltd. All rights reserved.

  18. A finite volume method for cylindrical heat conduction problems based on local analytical solution

    KAUST Repository

    Li, Wang; Yu, Bo; Wang, Xinran; Wang, Peng; Sun, Shuyu

    2012-01-01

    A new finite volume method for cylindrical heat conduction problems based on local analytical solution is proposed in this paper with detailed derivation. The calculation results of this new method are compared with the traditional second-order finite volume method. The newly proposed method is more accurate than conventional ones, even though the discretized expression of this proposed method is slightly more complex than the second-order central finite volume method, making it cost more calculation time on the same grids. Numerical result shows that the total CPU time of the new method is significantly less than conventional methods for achieving the same level of accuracy. © 2012 Elsevier Ltd. All rights reserved.

  19. Bilateral lower second molar impaction in teenagers: An emergent problem?

    Directory of Open Access Journals (Sweden)

    Shinohara Elio

    2010-01-01

    Full Text Available The frequency of simultaneously impacted second and third molars in teenagers is increasing and becoming a common occurrence in adolescent oral surgery practice. The traditional treatment is the removal of the third molar by conventional access but repositioning of the surgical flap to the distal face of the first molar can predispose to complications such as pericoronitis and delayed healing of the attached gingiva. We present a case in which we use the germectomy approach to remove the impacted third molar for the eruption of the second molar through a vestibular incision. This incision offers excellent bone exposure and exit route for the third molar without disturbing the gingiva attached architecture on the distal face of the first molar providing good healing environment.

  20. Compressed liquid densities and excess molar volumes for (CO{sub 2} + 1-pentanol) binary system at temperatures from 313 to 363 K and pressures up to 25 MPa

    Energy Technology Data Exchange (ETDEWEB)

    Zuniga-Moreno, Abel [Instituto Politecnico Nacional, ESIQIE, Laboratorio de Termodinamica, Edif. Z, Secc. 6, 1er piso, UPALM Zacatenco, 07738, Lindavista, Mexico, D.F. (Mexico); Galicia-Luna, Luis A. [Instituto Politecnico Nacional, ESIQIE, Laboratorio de Termodinamica, Edif. Z, Secc. 6, 1er piso, UPALM Zacatenco, 07738, Lindavista, Mexico, D.F. (Mexico)], E-mail: lgalicial@ipn.mx; Sandler, Stanley I. [Department of Chemical Engineering, University of Delaware, Newark, DE 19716-3119 (United States)

    2008-02-15

    Measurements of compressed liquid densities for 1-pentanol and for {l_brace}CO{sub 2} (1) + 1-pentanol (2){r_brace} system were carried out at temperatures from 313 K to 363 K and pressures up to 25 MPa. Densities were measured for binary mixtures at 10 different compositions, x{sub 1} = 0.0816, 0.1347, 0.3624, 0.4651, 0.6054, 0.7274, 0.8067, 0.8573, 0.9216, and 0.9757. A vibrating tube densimeter was used to perform density measurements using two reference calibration fluids. The uncertainty is estimated to be better than {+-}0.2 kg . m{sup -3} for the experimental density measurements. For each mixture and for 1-pentanol, the experimental densities were correlated using an explicit volume equation of six parameters and an 11-parameter equation of state (EoS). Excess molar volumes were determined for the (CO{sub 2} + 1-pentanol) system using 1-pentanol densities calculated from the 11-parameter EoS and CO{sub 2} densities calculated from a multiparameter reference EoS.

  1. Treating network junctions in finite volume solution of transient gas flow models

    Science.gov (United States)

    Bermúdez, Alfredo; López, Xián; Vázquez-Cendón, M. Elena

    2017-09-01

    A finite volume scheme for the numerical solution of a non-isothermal non-adiabatic compressible flow model for gas transportation networks on non-flat topography is introduced. Unlike standard Euler equations, the model takes into account wall friction, variable height and heat transfer between the pipe and the environment which are source terms. The case of one single pipe was considered in a previous reference by the authors, [8], where a finite volume method with upwind discretization of the flux and source terms has been proposed in order to get a well-balanced scheme. The main goal of the present paper is to go a step further by considering a network of pipes. The main issue is the treatment of junctions for which container-like 2D finite volumes are introduced. The couplings between pipes (1D) and containers (2D) are carefully described and the conservation properties are analyzed. Numerical tests including real gas networks are solved showing the performance of the proposed methodology.

  2. Thermodynamics of the interactions of a homologous series of some amino acids with trimethylamine N-oxide: Volumetric, compressibility, and calorimetric studies

    International Nuclear Information System (INIS)

    Choudhary, Sinjan; Kishore, Nand

    2011-01-01

    Highlights: → Thermodynamics of interaction of amino acids with trimethy N-oxide (TMAO) studied. → Partial molar properties in aqueous osmolyte provide interaction details. → Volumes, compressibilites, enthalpies indicate predominant hydrophobic interactions. → TMAO exerts its effect both by preferential hydration and hydrophobic interactions. → Results suggest hydrophobic interactions lead to destabilization of the protein. - Abstract: The values of apparent molar volume V 2,φ and apparent molar compressibility K S,2,φ of glycine, L-alanine, DL-α-amino-n-butyric acid, L-valine, and L-leucine have been determined in the aqueous solution of 1 mol . kg -1 and 2 mol . kg -1 trimethylamine N-oxide (TMAO) solutions by density and sound velocity measurements. Isothermal titration calorimetry has been employed to determine the values of heats of dilution q of the aqueous solutions of these amino acids in TMAO at temperatures from T = 288.15 K to T = 308.15 K. These data have been used to calculate values of the infinite dilution standard partial molar volume (V 2,m 0 ), standard partial molar isentropic compressibility (K S,2,m 0 ) and limiting enthalpy of dilution (Δ dil H o ) of the amino acids in aqueous TMAO solutions. The standard partial molar volumes of transfer (Δ tr V 2,m 0 ), isentropic compressibility of transfer (Δ tr K S,2,m 0 ), and enthalpy of dilution of transfer (Δ tr Δ dil H o ) of amino acids from water to aqueous TMAO solutions have been calculated from the measured quantities for these thermodynamic quantities. The linear correlation of V 2,m 0 for a homologous series of amino acids has been utilized to calculate the contribution of the charged end groups (NH 3 + , COO - ), CH 2 groups, and the other alkyl chains of the amino acids to V 2,m 0 . The results for the partial molar properties of transfer from water to aqueous TMAO solutions have been interpreted in terms of ion-ion, ion-polar, hydrophilic-hydrophobic, and hydrophobic

  3. Method of moments solution of volume integral equations using higher-order hierarchical Legendre basis functions

    DEFF Research Database (Denmark)

    Kim, Oleksiy S.; Jørgensen, Erik; Meincke, Peter

    2004-01-01

    An efficient higher-order method of moments (MoM) solution of volume integral equations is presented. The higher-order MoM solution is based on higher-order hierarchical Legendre basis functions and higher-order geometry modeling. An unstructured mesh composed of 8-node trilinear and/or curved 27...... of magnitude in comparison to existing higher-order hierarchical basis functions. Consequently, an iterative solver can be applied even for high expansion orders. Numerical results demonstrate excellent agreement with the analytical Mie series solution for a dielectric sphere as well as with results obtained...

  4. Image analysis of the eruptive positions of third molars and adjacent second molars as indicators of age evaluation in Thai patients

    Energy Technology Data Exchange (ETDEWEB)

    Mahasantipiya, Phattaranant May; Pramojanee, Sakarat; Thaiupathump, Trasapong [Chiang Mai University, Chiang Mai (Thailand)

    2013-12-15

    This study was performed to determine the relationship between the stage of tooth eruption (both vertical and mesio-angular) and chronological age. Indirect digital panoramic radiographs were used to measure the distances from the dentinoenamel junction (DEJ) of the second molars to the occlusal plane of the second molar teeth and of the adjacent third molars in 264 Thai males and 437 Thai females using ImageJ software. The ratio of those distances was calculated by patient age, and the correlation coefficient of the ratio of the third molar length to the second molar length was calculated. The correlation between the height of the vertically erupted upper third molar teeth and age was at the intermediate level. The age range of ≥15 to <16 years was noted to be the range in which the correlation between the chronological age determined from the eruptional height and actual chronological age was statistically significant. The mean age of the female subjects, in which the position of the right upper third molar teeth was at or above the DEJ of the adjacent second molar but below one half of its coronal height was 19.9±2.6 years. That for the left side was 20.2±2.7 years. The mean ages of the male subjects were 20.1±3.3 years and 19.8±2.7 years for the right and left sides, respectively. It might be possible to predict chronological age from the eruption height of the wisdom teeth.

  5. Image analysis of the eruptive positions of third molars and adjacent second molars as indicators of age evaluation in Thai patients

    International Nuclear Information System (INIS)

    Mahasantipiya, Phattaranant May; Pramojanee, Sakarat; Thaiupathump, Trasapong

    2013-01-01

    This study was performed to determine the relationship between the stage of tooth eruption (both vertical and mesio-angular) and chronological age. Indirect digital panoramic radiographs were used to measure the distances from the dentinoenamel junction (DEJ) of the second molars to the occlusal plane of the second molar teeth and of the adjacent third molars in 264 Thai males and 437 Thai females using ImageJ software. The ratio of those distances was calculated by patient age, and the correlation coefficient of the ratio of the third molar length to the second molar length was calculated. The correlation between the height of the vertically erupted upper third molar teeth and age was at the intermediate level. The age range of ≥15 to <16 years was noted to be the range in which the correlation between the chronological age determined from the eruptional height and actual chronological age was statistically significant. The mean age of the female subjects, in which the position of the right upper third molar teeth was at or above the DEJ of the adjacent second molar but below one half of its coronal height was 19.9±2.6 years. That for the left side was 20.2±2.7 years. The mean ages of the male subjects were 20.1±3.3 years and 19.8±2.7 years for the right and left sides, respectively. It might be possible to predict chronological age from the eruption height of the wisdom teeth.

  6. Solid solutions of hydrogen in niobium, molybdenum and their alloys

    International Nuclear Information System (INIS)

    Ishikawa, T.T.

    1981-01-01

    The solubility of hydrogen in niobium, molybdenum and niobium-molybdenum alloys with varying atomic fraction of molybdenum from 0.15 to 0.75 was measured on the temperature range of 673 0 K to 1273 0 k for one atmosphere hydrogen pressure. The experimental technique involved the saturation of the solvent metal or alloy with hydrogen, followed by quenching and analysis of the solid solution. The results obtained of hydrogen solubility are consistent with the quasi-regular model for the dilute interstitial solid solutions. The partial molar enthalpy and partial molar entropy in excess of the dissolved hydrogen atoms were calculated from data of solubility versus reciprocal doping temperature. The variation of the relative partial molar enthalpy of hydrogen dissolved in niobium-molybdenum alloys, with the increase of molybdenum content of the alloy was analized. (Author) [pt

  7. Treatment of ectopic first permanent molar teeth.

    Science.gov (United States)

    Hennessy, Joe; Al-Awadhi, E A; Dwyer, Lian O; Leith, Rona

    2012-11-01

    Ectopic eruption of the first permanent molar is a relatively common occurence in the developing dentition. A range of treatment options are available to the clinician provided that diagnosis is made early. Non-treatment can result in premature exfoliation of the second primary molar, space loss and impaction of the second premolar. This paper will describe the management of ectopic first permanent molars, using clinical examples to illustrate the available treatment options. This paper is relevant to every general dental practitioner who treats patients in mixed dentition.

  8. Liquid-liquid miscibility and volumetric properties of aqueous solutions of ionic liquids as a function of temperature

    International Nuclear Information System (INIS)

    Wang Silu; Jacquemin, Johan; Husson, Pascale; Hardacre, Christopher; Costa Gomes, Margarida F.

    2009-01-01

    The volumetric properties of seven {water + ionic liquid} binary mixtures have been studied as a function of temperature from (293 to 343) K. The phase behaviour of the systems was first investigated using a nephelometric method and excess molar volumes were calculated from densities measured using an Anton Paar densimeter and fitted using a Redlich-Kister type equation. Two ionic liquids fully miscible with water (1-butyl-3-methylimidazolium tetrafluoroborate ([C 1 C 4 Im][BF 4 ]) and 1-ethyl-3-methylimidazolium ethylsulfate ([C 1 C 2 Im][EtSO 4 ])) and five ionic liquids only partially miscible with water (1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([C 1 C 2 Im][NTf 2 ]), 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([C 1 C 4 Im][NTf 2 ]), 1-butyl-3-methylimidazolium hexafluorophosphate ([C 1 C 4 Im][PF 6 ]), 1-butyl-3-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide ([C 1 C 4 Pyrro][NTf 2 ]), and butyltrimethylammonium bis(trifluoromethylsulfonyl)imide ([N 4111 ][NTf 2 ])) were chosen. Small excess volumes (less than 0.5 cm 3 . mol -1 at 298 K) are obtained compared with the molar volumes of the pure components (less than 0.3% of the molar volume of the pure ionic liquid). For all the considered systems, except for {[C 1 C 2 Im][EtSO 4 ] + water}, positive excess molar volumes were calculated. Finally, an increase of the non-ideality character is observed for all the systems as temperature increases.

  9. Crystal structure and thermochemical properties of n-decylammonium ethyl sulfate (C10H21NH3SO4C2H5)(s)

    International Nuclear Information System (INIS)

    Zhang, Li-Jun; Di, You-Ying; Dou, Jian-Min

    2013-01-01

    Graphical abstract: Crystal structure of n-decylammonium ethyl sulfate was determined by X-ray crystallography. Lattice potential energy and molar volume of the solid compound and its anion were respectively obtained. Molar enthalpies of dissolution of the compound at different concentrations were measured by an isoperibol solution–reaction calorimeter. According to the Pitzer’s electrolyte solution theory, molar enthalpy of dissolution of the compound at infinite dilution and Pitzer parameters were obtained. The values of apparent relative molar enthalpies of the title compound and relative partial molar enthalpies of the solute and the solvent at different concentrations were derived. Finally, enthalpies of hydration of the compound and its anion were calculated. Highlights: ► Crystal structure of n-decylammonium ethyl sulfate was determined. ► Lattice potential energy was calculated. ► Molar enthalpy of dissolution at infinite dilution was determined. ► Enthalpies of hydration of the compound and its anion were derived. - Abstract: Crystal structure of n-decylammonium ethyl sulfate was determined by X-ray crystallography. Lattice potential energy and molar volume of the solid compound and its anion were respectively obtained. Ionic radius of the anion was calculated from the corresponding effective volume of the anion. Molar enthalpies of dissolution of the compound at different concentrations m /(mol · kg –1 ) were measured by an isoperibol solution–reaction calorimeter at T = 298.15 K. According to the Pitzer’s electrolyte solution theory, molar enthalpy of dissolution of the compound at infinite dilution (Δ sol H m ∞ ) was determined to be (21.284 ± 0.042) kJ·mol –1 , and enthalpy of hydration of the anion SO 4 C 2 H 5 − was calculated to be ΔH – = −340.68 kJ·mol –1 . The values of apparent relative molar enthalpies ( Φ L) of the title compound and relative partial molar enthalpies (L 2 ¯ and L 1 ¯ ) of the solute and

  10. Proceedings of the Triservice Corrosion of Military Equipment Conference (1974) held at Dayton, Ohio on 29-31 Oct 1974. Volume II. Sessions IV through VII

    Science.gov (United States)

    1975-09-01

    assumed the copper is ionised as the cuprous or cupric ion. This order of magnitude is in agreement with that rlet-, Ied in electrochemical investigations...solution containing 1. 0 molar Ammnonium Chloride, 0.Z5 molar Ammoniun Nitrate, 0. 01 molar Ammonium Tartrate , and 3 g/l Hydrogen Peroxide (10 ml of 30...annmmoniunm tartrate 3 g/l hydrogen peroxide (10 nil of 301 stock solution per liter) The solution has a pH of about 5. Z to 5.4, Note: If a stock solution of

  11. PULPOTOMIES WITH PORTLAND CEMENT IN HUMAN PRIMARY MOLARS

    Science.gov (United States)

    Conti, Taísa Regina; Sakai, Vivien Thiemy; Fornetti, Ana Paula Camolese; Moretti, Ana Beatriz Silveira; Oliveira, Thais Marchini; Lourenço, Natalino; Machado, Maria Aparecida Andrade Moreira; Abdo, Ruy Cesar Camargo

    2009-01-01

    Two clinical cases in which Portland cement (PC) was applied as a medicament after pulpotomy of mandibular primary molars in children are presented. Pulpotomy using PC was carried out in two mandibular first molars and one mandibular second molar, which were further followed-up. At the 3, 6 and 12-month follow-up appointments, clinical and radiographic examinations of the pulpotomized teeth and their periradicular area revealed that the treatments were successful in maintaining the teeth asymptomatic and preserving pulpal vitality. Additionally, the formation of a dentin bridge immediately below the PC could be observed in the three molars treated. PC may be considered as an effective alternative for primary molar pulpotomies, at least in a short-term period. Randomized clinical trials with human teeth are required in order to determine the suitability of PC before unlimited clinical use can be recommended. PMID:19148409

  12. Low-temperature heat capacities and standard molar enthalpy of formation of N-methylnorephedrine C211H17NO(s)

    Institute of Scientific and Technical Information of China (English)

    Di You-Ying; Wang Da-Qi; Shi Quan; Tan Zhi-Cheng

    2008-01-01

    This paper reports that low-temperature heat capacities of N-methylnorephedrine C11H17NO(s) have been mea- sured by a precision automated adiabatic calorimeter over the temperature range from T=78 K to T=400 K. A solid to liquid phase transition of the compound was found in the heat capacity curve in the temperature range of T=342- 364 K. The peak temperature, molar enthalpy and entropy of fusion of the substance were determined. The experimental values of the molar heat capacities in the temperature regions of T=78-342 K and T=364-400 K were fitted to two poly- nomial equations of heat capacities with the reduced temperatures by least squares method. The smoothed molar heat capacities and thermodynamic functions of N-methylnorephedrine C11H17NO(s) relative to the standard refer- ence temperature 298.15 K were calculated based on the fitted polynomials and tabulated with an interval of 5 K. The constant-volume energy of combustion of the compound at T=298.15 K was measured by means of an isoperibol preci- sion oxygen-bomb combustion calorimeter. The standard molar enthalpy of combustion of the sample was calculated. The standard molar enthalpy of formation of the compound was determined from the combustion enthalpy and other auxiliary thermodynamic data through a Hess thermochemical cycle.

  13. Thermodynamic study of three pharmacologically significant drugs: Density, viscosity, and refractive index measurements at different temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Iqbal, Muhammad Javed [Department of Chemistry, Quaid-i-Azam University, Islamabad 45320 (Pakistan)], E-mail: mjiqauchem@yahoo.com; Chaudhry, Mansoora Ahmed [Department of Chemistry, Quaid-i-Azam University, Islamabad 45320 (Pakistan)

    2009-02-15

    Measurements of density, viscosity, and refractive index of three pharmacologically significant drugs, i.e. diclofenac sodium, cetrizine, and doxycycline have been carried in aqueous medium at T = (293.15 to 313.15) K. An automated vibrating-tube densimeter, viscometer, and refractometer are used in a concentration range from (7.5) . 10{sup -3} to 25 . 10{sup -3}) mol . kg{sup -1}. The precise density results are used to evaluate the apparent molar volume, partial molar volume, thermal expansion coefficient, partial molar expansivity, and the Hepler's constant. Viscosity results are used to calculate the Jones-Dole viscosity B-coefficient, free energy of activation of the solute and solvent, activation enthalpy, and activation entropy. The molar refractive indices of the drug solutions can be employed to calculate molar refraction. It is inferred from these results that the above mentioned drugs act as structure-making compounds due to hydrophobic hydration of the molecules in the drugs.

  14. Treatment of ectopic first permanent molar teeth.

    LENUS (Irish Health Repository)

    Hennessy, Joe

    2012-11-01

    Ectopic eruption of the first permanent molar is a relatively common occurence in the developing dentition. A range of treatment options are available to the clinician provided that diagnosis is made early. Non-treatment can result in premature exfoliation of the second primary molar, space loss and impaction of the second premolar. This paper will describe the management of ectopic first permanent molars, using clinical examples to illustrate the available treatment options. CLINICAL RELEVANCE: This paper is relevant to every general dental practitioner who treats patients in mixed dentition.

  15. Enthalpies of solution of ampicillin, amoxycillin and their binary mixtures at 310.15 K.

    Science.gov (United States)

    Jain, D V; Kashid, N; Kapoor, S; Chadha, R

    2000-05-15

    Enthalpies of solutions of ampicillin, amoxycillin and their binary mixtures have been determined at pH 2, 5, and 7 using C-80 calorimeter. The systems showed endothermic behaviour; molar enthalpies of solutions of ampicillin were determined to be 13.32, 15.89 and 23.21 kJ mol(-1) and amoxycillin were 16.32, 18.45 and 26. 25 kJ mol(-1) at pH 2, 5, and 7, respectively. The excess molar enthalpies of solution have also been calculated to find any interaction between these two drugs.

  16. Crevice corrosion of alloy 22 in fluoride and chloride containing solutions

    International Nuclear Information System (INIS)

    Carranza, Ricardo M.; Rodriguez, Martin A.

    2005-01-01

    Alloy 22 (N06022) is highly resistant to localized corrosion. Alloy 22 may be susceptible to crevice corrosion in pure chloride (Cl - ) solutions under aggressive environmental conditions. The effect of the fluoride (F - ) on the susceptibility to crevice corrosion induced by chloride ions is still not well established. The objective of the present work was to explore the crevice corrosion resistance of this alloy to different mixtures of fluorides and chlorides. Cyclic potentiodynamic polarization (CPP) tests were conducted in deaerated aqueous solutions of pure halide ions and also in different mixtures of chloride and fluoride at 90 C degrees and pH 6. The range of chloride concentration [Cl - ] was 0.001 M ≤ [Cl - ] ≤ 1 M and the range of molar fluoride to chloride ratio [F - ]/[Cl - ] was 0.1≤ [F - ]/[Cl - ] ≤ 10. Results showed that Alloy 22 was susceptible to crevice corrosion in all the pure chloride solutions but not in the pure fluoride solutions. A molar ratio [F - ]/[Cl - ] ranging from 5 to 10 was required for the inhibition of crevice corrosion to be complete in the halide mixtures. A moderate or nil inhibitive effect was observed for molar ratios [F - ]/[Cl - ] [es

  17. Internal structure of mandible around mandibular molar using computed tomography. Anatomical consideration of molar anchorage in orthodontic treatment

    International Nuclear Information System (INIS)

    Enomoto, Yutaka; Yamashita, Daisuke; Saito, Katsuhiko; Kasai, Kazutaka

    2008-01-01

    For establishment of fine occlusion, facial profile and oral function in orthodontic treatment, molar anchorage in teeth movement is important manner in extracted cases. The aims of this study were to investigate the relationship between facial morphology and internal structure of mandibular body in molar region by computer tomography, and to discuss about molar anchorage in orthodontic treatment. The data for this study were obtained from 35 modern male Japanese skulls (mean age; 27 year-old, ranged from 18 year-old to 47 year-old). Measurement variables were FMA, SN to mandibular plane angle, gonial angle, alveolar breadth, cortical bone thickness of buccal and lingual sides, and the distance between dental root and cortical bone. As a result, alveolar breadth and the distance between dental root and cortical bone were narrow in long facial type, on the contrary, these variables were wide in short facial type. The result suggested that these variables were considered important factors as molar anchorage in extracted cases. (author)

  18. Octanol-Water Partition Coefficient from 3D-RISM-KH Molecular Theory of Solvation with Partial Molar Volume Correction.

    Science.gov (United States)

    Huang, WenJuan; Blinov, Nikolay; Kovalenko, Andriy

    2015-04-30

    The octanol-water partition coefficient is an important physical-chemical characteristic widely used to describe hydrophobic/hydrophilic properties of chemical compounds. The partition coefficient is related to the transfer free energy of a compound from water to octanol. Here, we introduce a new protocol for prediction of the partition coefficient based on the statistical-mechanical, 3D-RISM-KH molecular theory of solvation. It was shown recently that with the compound-solvent correlation functions obtained from the 3D-RISM-KH molecular theory of solvation, the free energy functional supplemented with the correction linearly related to the partial molar volume obtained from the Kirkwood-Buff/3D-RISM theory, also called the "universal correction" (UC), provides accurate prediction of the hydration free energy of small compounds, compared to explicit solvent molecular dynamics [ Palmer , D. S. ; J. Phys.: Condens. Matter 2010 , 22 , 492101 ]. Here we report that with the UC reparametrized accordingly this theory also provides an excellent agreement with the experimental data for the solvation free energy in nonpolar solvent (1-octanol) and so accurately predicts the octanol-water partition coefficient. The performance of the Kovalenko-Hirata (KH) and Gaussian fluctuation (GF) functionals of the solvation free energy, with and without UC, is tested on a large library of small compounds with diverse functional groups. The best agreement with the experimental data for octanol-water partition coefficients is obtained with the KH-UC solvation free energy functional.

  19. Effect of increases in lung volume on clearance of aerosolized solute from human lungs

    Energy Technology Data Exchange (ETDEWEB)

    Marks, J.D.; Luce, J.M.; Lazar, N.M.; Wu, J.N.; Lipavsky, A.; Murray, J.F.

    1985-10-01

    To study the effect of increases in lung volume on solute uptake, we measured clearance of /sup 99m/Tc-diethylenetriaminepentaacetic acid (Tc-DTPA) at different lung volumes in 19 healthy humans. Seven subjects inhaled aerosols (1 micron activity median aerodynamic diam) at ambient pressure; clearance and functional residual capacity (FRC) were measured at ambient pressure (control) and at increased lung volume produced by positive pressure (12 cmH2O continuous positive airway pressure (CPAP)) or negative pressure (voluntary breathing). Six different subjects inhaled aerosol at ambient pressure; clearance and FRC were measured at ambient pressure and CPAP of 6, 12, and 18 cmH2O pressure. Six additional subjects inhaled aerosol at ambient pressure or at CPAP of 12 cmH2O; clearance and FRC were determined at CPAP of 12 cmH2O. According to the results, Tc-DTPA clearance from human lungs is accelerated exponentially by increases in lung volume, this effect occurs whether lung volume is increased by positive or negative pressure breathing, and the effect is the same whether lung volume is increased during or after aerosol administration. The effect of lung volume must be recognized when interpreting the results of this method.

  20. Effect of increases in lung volume on clearance of aerosolized solute from human lungs

    International Nuclear Information System (INIS)

    Marks, J.D.; Luce, J.M.; Lazar, N.M.; Wu, J.N.; Lipavsky, A.; Murray, J.F.

    1985-01-01

    To study the effect of increases in lung volume on solute uptake, we measured clearance of /sup 99m/Tc-diethylenetriaminepentaacetic acid (Tc-DTPA) at different lung volumes in 19 healthy humans. Seven subjects inhaled aerosols (1 micron activity median aerodynamic diam) at ambient pressure; clearance and functional residual capacity (FRC) were measured at ambient pressure (control) and at increased lung volume produced by positive pressure [12 cmH 2 O continuous positive airway pressure (CPAP)] or negative pressure (voluntary breathing). Six different subjects inhaled aerosol at ambient pressure; clearance and FRC were measured at ambient pressure and CPAP of 6, 12, and 18 cmH 2 O pressure. Six additional subjects inhaled aerosol at ambient pressure or at CPAP of 12 cmH 2 O; clearance and FRC were determined at CPAP of 12 cmH 2 O. According to the results, Tc-DTPA clearance from human lungs is accelerated exponentially by increases in lung volume, this effect occurs whether lung volume is increased by positive or negative pressure breathing, and the effect is the same whether lung volume is increased during or after aerosol administration. The effect of lung volume must be recognized when interpreting the results of this method