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Sample records for solute molar volume

  1. 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.

  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 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

  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 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.

  6. 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

  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. 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.

  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. 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

  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. 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.

  13. 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)

  14. 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.

  15. 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

  16. 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.

  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

    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.

  18. 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.

  19. 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%

  20. 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.

  1. 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.

  2. 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.

  3. 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

  4. 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.

  5. 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.

  6. 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)

  7. 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

  8. 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

  9. 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

  10. 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

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  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. 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.

  17. 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.

  18. 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

  19. 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

  20. 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.

  1. 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.

  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.

    2011-01-01

    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

  3. 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 ...

  4. 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…

  5. 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.

  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 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.

  8. 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).

  9. 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.

  10. 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.

  11. 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 ...

  12. 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

  13. 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.

  14. 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 ...

  15. 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.

  16. 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

  17. 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.

  18. 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.

  19. Contributions to the chemistry of highly concentrated electrolyte solutions. XXXIX. Investigation of Be/sup 2 +/ complex formation by the method of molar volumes

    Energy Technology Data Exchange (ETDEWEB)

    Jedinakova, V [Vysoka Skola Chemicko-Technologicka, Prague (Czechoslovakia). Katedra Technologie Jadernych Paliv a Radiochemie

    1974-01-01

    The formation of aquo- and acido-complexes of the Be/sup 2 +/ ion in aqueous solutions of strong electrolytes was studied by densimetry. In all the systems studied, HClO/sub 4/, HNO/sub 3/, NaNO/sub 3/, KOH, Ca(ClO/sub 4/)/sub 2/, CaCl/sub 2/, the overall coordination number 4 was confirmed for the complex forms of the Be/sup 2 +/ ion. If BeSO/sub 4/ is used as the differential addition in a solvent not forming complexes, dissociation of the sulfate proceeds under the formation of the aquo-complex (Be(H/sub 2/O)/sub 4/)/sup 2 +/. If beryllium perchlorate is used, the Be/sup 2 +/ ion remains in that form, in which it is added to the solution (i.e. the complex form (Be(H/sub 2/O)/sub 2/(ClO/sub 4/)/sub 2/)), in the whole concentration range of the applied isomolar series Ca(ClO/sub 4/)/sub 2/-CaCl/sub 2/, NaClO/sub 4/-NaBr, and NaClO/sub 4/-NaI.

  20. 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.

  1. 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...

  2. 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

  3. 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.

  4. 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.

  5. 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.

  6. 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...

  7. 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

  8. 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.

  9. 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

  10. 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.

  11. 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.

  12. 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.

  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. 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.

  15. 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.

  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. 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.

  18. 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

  19. 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).

  20. 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

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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

  6. 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 ...

  7. 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

  8. 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...

  9. 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.

  10. 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.

  11. 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

  12. 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

  13. 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.

  14. 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

  15. 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

  16. 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.

  17. 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.

  18. 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.

  19. 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

  20. 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.

  1. 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

  2. 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.

  3. 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.

  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. 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)

  6. 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.

  7. 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.

  8. 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.

  9. 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

  10. 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.

  11. 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

  12. 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.

  13. 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

  14. 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

  15. 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.

  16. 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

  17. 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.

  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. 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

  20. 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)

  1. 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.

  2. 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

  3. 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

  4. 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

  5. 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.

  6. 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.

  7. 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

  8. 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.

  9. 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.

  10. 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

  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. 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

  13. 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.

  14. 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.

  15. 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

  16. 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.

  17. 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

  18. 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.

  19. 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.

  20. 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

  1. 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

  2. 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

  3. 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.

  4. 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%.

  5. 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.

  6. 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

  7. 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

  8. 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.

  9. 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.

  10. 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

  11. 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

  12. 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

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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

  19. 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

  20. 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

  1. 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.

  2. 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

  3. 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

  4. 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,

  5. 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.

  6. 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.

  7. 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

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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

  13. 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

  14. 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

  15. 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

  16. 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

  17. 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.

  18. 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 ...

  19. 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 ...

  20. 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.

  1. Excess Molar Volumes of (Propiophenone + Toluene) and Estimated Density of Liquid Propiophenone below Its Melting Temperature

    Czech Academy of Sciences Publication Activity Database

    Morávková, Lenka; Linek, Jan

    2006-01-01

    Roč. 38, č. 10 (2006), s. 1240-1244 ISSN 0021-9614 R&D Projects: GA ČR(CZ) GA203/02/1098 Institutional research plan: CEZ:AV0Z40720504 Keywords : density * excess volume * temperature dependence Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.842, year: 2006

  2. Volumetry of human molars with flat panel-based volume CT in vitro

    NARCIS (Netherlands)

    Hannig, C.; Krieger, E.; Dullin, C.; Merten, H.A.; Attin, T.; Grabbe, E.; Heidrich, G.

    2006-01-01

    The flat panel-based volume computed tomography (fpVCT) is a new CT device applicable for experimental, three-dimensional evaluation of teeth at a resolution of about 150 microm in the high contrast region. The aim of this study was to investigate whether fpVCT was suitable for quantification of the

  3. Excess Molar Volumes of the Octane-1-Chlorobutane System at High Pressures and Elevated Temperatures

    Czech Academy of Sciences Publication Activity Database

    Morávková, Lenka; Linek, Jan

    2002-01-01

    Roč. 56, č. 6 (2002), s. 374-377 ISSN 0366-6352. [International Conference of Slovak Society of Chemical Engineering /29./. Tatranské Matliare, 27.05.2002-31.05.2002] R&D Projects: GA ČR GA203/00/0600 Keywords : densities * excess volumes * mixtures Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.336, year: 2002

  4. 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.

  5. 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

  6. 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

  7. 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.

  8. 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.

  9. 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

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. Pressure-volume-temperature and excess molar volume prediction of amorphous and crystallizable polymer blends by equation of state

    Institute of Scientific and Technical Information of China (English)

    Fakhri Yousefi; Hajir Karimi; Maryam Gomar

    2015-01-01

    In this work the statistical mechanical equation of state was developed for volumetric properties of crystal ine and amorphous polymer blends. The Ihm–Song–Mason equations of state (ISMEOS) based on temperature and density at melting point (Tm andρm) as scaling constants were developed for crystalline polymers such as poly(propylene glycol)+poly(ethylene glycol)-200 (PPG+PEG-200), poly(ethylene glycol) methyl ether-300 (PEGME-350)+PEG-200 and PEGME-350+PEG-600. Furthermore, for amorphous polymer blends con-taining poly(2,6-dimethyl-1,4-phenylene oxide) (PPO)+polystyrene (PS) and PS+poly(vinylmethylether) (PVME), the density and surface tension at glass transition (ρg andγg) were used for estimation of second Virial coefficient. The calculation of second Virial coefficients (B2), effective van der Waals co-volume (b) and correction factor (α) was required for judgment about applicability of this model. The obtained results by ISMEOS for crys-talline and amorphous polymer blends were in good agreement with the experimental data with absolute aver-age deviations of 0.84%and 1.04%, respectively.

  15. 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

  16. 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.

  17. 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)

  18. 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.

  19. 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

  20. 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).

  1. 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)

  2. 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.

  3. 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...

  4. 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.

  5. 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.

  6. 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

  7. Molar absorptivities of 2,4-D, cymoxanil, fenpropidin, isoproturon and pyrimethanil in aqueous solution in the near-UV

    Science.gov (United States)

    Feigenbrugel, Valérie; Le Calvé, Stéphane; Mirabel, Philippe

    2006-01-01

    The absorption spectra of five pesticides, namely 2,4-dichloro-phenoxy acetic acid (2,4-D), cymoxanil, fenpropidin, isoproturon and pyrimethanil, have been measured in aqueous solution using a set-up consisting of two parallel absorption cells coupled to a CCD detector. The absolute values of their molar absorptivity coefficients ɛ were determined in the wavelength-range 240-344 nm with a deuterium-lamp at room temperature (298 ± 2 K). Using the Beer-Lambert law, values of ɛ were also determined at 253.7 nm with a Hg-Lamp: ɛ = 145 ± 14 for 2,4-D, ɛ = 7940 ± 920 for cymoxanil, ɛ = 196 ± 14 for fenpropidin, ɛ = 7330 ± 880 for isoproturon, ɛ = 13200 ± 1400 for pyrimethanil (in units of M-1 cm-1). The quoted errors correspond to 2σ obtained from the least square fit analysis and the estimated systematic error of 5% due to the uncertainties in aqueous concentrations. For all the studied compounds, the absorbances measured were lower than 2.3 and did not exhibit any deviation from the Beer-Lambert's law. Our experimental data are discussed and compared to UV spectra of similar molecules when such data were available in the literature. Based on their UV spectra and the calculated fractions of these pesticides in the aqueous phase, their direct photolysis under sunlight environment could occur, except may be for fenpropidin, either in water surfaces or in aqueous droplets contained in the atmospheric clouds.

  8. 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 ...

  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. 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)

  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. 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.

  13. 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

  14. 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

  15. 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

  16. 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.

  17. 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.

  18. 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.

  19. 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

  20. 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

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. Extension of the segment-based Wilson and NRTL models for correlation of excess molar enthalpies of polymer solutions

    International Nuclear Information System (INIS)

    Sadeghi, Rahmat

    2005-01-01

    The polymer Wilson model and the polymer NRTL model have been extended for the representation of the excess enthalpy of multicomponent polymer solutions. Applicability of obtained equations in the correlation of the excess enthalpies of polymer solutions has been examined. It is found that the both models are suitable models in representing the published excess enthalpy data for the tested polymer solutions

  6. 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.

  7. 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

  8. 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.

  9. 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

  10. Regenerative energies - the environmentally friendly solution. Seminar volume. Pt. 2

    International Nuclear Information System (INIS)

    Haury, H.J.; Assmann, G.; Froese, B.; Jahn, T.

    1995-01-01

    The Information Environment organised its 16th journalists seminar on 9th March 1995 in Hamburg. In the second part of the seminar competent scientist gave an overview to the following questions: 1. Renewable energy as an solution from the dead end street? 2. What part of the energy demand could be covered by regenerative energy sources at all? 3. Ecology contra economy? 4. Inexhaustible energy source sun? 5. When do we start to import solar energy from the desert? 6. Move into the energy autarkic solar house in the year 2000? 7. Wind power plant park Germany? 8. Geothermal - component of the energy-mix 2005. The present volume contains the lectures which were given on these subjects. (orig./UA) [de

  11. 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.

  12. 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.

  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. A quick method for maintaining the molarity of NaOH solution during continuous etching of CR-39

    International Nuclear Information System (INIS)

    Khan, E.U.; Husaini, S.N.; Malik, F.; Sajid, M.; Karim, S.; Qureshi, I.E.

    2002-01-01

    A series of experiments have been performed to investigate the physio-chemical changes that occurred in the 6 M NaOH solution after etching CR-39 (Pershore and Homalite) detectors, each for 3, 6, 9, 12 and 15 h. Various physical parameters like concentration, electrical conductivity (EC) and density of the solutions have been measured after each etching interval. Results have been discussed in the light of stoichiometrical equation for the interaction of CR-39 with NaOH. It is found that the concentration, EC and the density of the solution, in which CR-39 has been etched, increase linearly with respect to the etching time. The inter-relationship of EC-concentration and density-concentration suggest that the concentration of the etchant can be maintained at certain desired value by adjusting the corresponding value of EC or density, measured through non-destructive and quick methods

  15. 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

  16. 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)

  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. 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. 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

  20. 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

  1. Optimizing the molarity of a EDTA washing solution for saturated-soil remediation of trace metal contaminated soils

    International Nuclear Information System (INIS)

    Andrade, M.D.; Prasher, S.O.; Hendershot, W.H.

    2007-01-01

    Three experiments were conducted to optimize the use of ethylenediaminetetraacetic acid (EDTA) for reclaiming urban soils contaminated with trace metals. As compared to Na 2 EDTA (NH 4 ) 2 EDTA extracted 60% more Zn and equivalent amounts of Cd, Cu and Pb from a sandy loam. When successively saturating and draining loamy sand columns during a washing cycle, which submerged it once with a (NH 4 ) 2 EDTA wash and four times with deionised water, the post-wash rinses largely contributed to the total cumulative extraction of Cd, Co, Cr, Cu, Mn, Ni, Pb and Zn. Both the washing solution and the deionised water rinses were added in a 2:5 liquid to soil (L:S) weight ratio. For equal amounts of EDTA, concentrating the washing solution and applying it and the ensuing rinses in a smaller 1:5 L:S weight ratio, instead of a 2:5 L:S weight ratio, increased the extraction of targeted Cr, Cu, Ni, Pb and Zn. - A single EDTA addition is best utilised in a highly concentrated washing solution given in a small liquid to soil weight ratio

  2. 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.

  3. 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)

  4. 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

  5. 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.

  6. 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

  7. 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.

  8. Cul3-mediated Nrf2 ubiquitination and antioxidant response element (ARE) activation are dependent on the partial molar volume at position 151 of Keap1.

    Science.gov (United States)

    Eggler, Aimee L; Small, Evan; Hannink, Mark; Mesecar, Andrew D

    2009-07-29

    Nrf2 (nuclear factor erythroid 2-related factor 2) is a transcription factor that activates transcription of a battery of cytoprotective genes by binding to the ARE (antioxidant response element). Nrf2 is repressed by the cysteine-rich Keap1 (kelch-like ECH-associated protein 1) protein, which targets Nrf2 for ubiquitination and subsequent degradation by a Cul3 (cullin 3)-mediated ubiquitination complex. We find that modification of Cys(151) of human Keap1, by mutation to a tryptophan, relieves the repression by Keap1 and allows activation of the ARE by Nrf2. The Keap1 C151W substitution has a decreased affinity for Cul3, and can no longer serve to target Nrf2 for ubiquitination, though it retains its affinity for Nrf2. A series of 12 mutant Keap1 proteins, each containing a different residue at position 151, was constructed to explore the chemistry required for this effect. The series reveals that the extent to which Keap1 loses the ability to target Nrf2 for degradation, and hence the ability to repress ARE activation, correlates well with the partial molar volume of the residue. Other physico-chemical properties do not appear to contribute significantly to the effect. Based on this finding, a structural model is proposed whereby large residues at position 151 cause steric clashes that lead to alteration of the Keap1-Cul3 interaction. This model has significant implications for how electrophiles which modify Cys(151), disrupt the repressive function of Keap1.

  9. 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.

  10. 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.

  11. 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

  12. 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

  13. 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

  14. 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.

  15. Reduction of waste solution volume generated on electrokinetic remediation

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Gye-Nam; Koo, Dae-Seo; Kim, Seung-Soo; Jeong, Jung-Whan; Han, Gyu-Seong; Moon, Jei-Kwon [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2015-05-15

    In this study, for the reduction of volume of metal oxides generated in cathode chamber, the optimum pH of waste electrolyte in cathode chamber were drawn out through several experiments with the manufactured electrokinetic decontamination equipment. Also, the required time to reach to below the clearance concentration level for self- disposal was estimated through experiments using the manufactured electrokinetic decontamination equipment. A diagram of soil decontamination process for the removal of uranium from contaminated soil was drawn out. The optimum pH of waste electrolyte in cathode chamber for the reduction of volume of metal oxides was below 2.35. Also, when the initial uranium concentration of the soils were 7-20 Bq/g, the required times to reach to below the clearance concentration level for self- disposal were 25-40 days. A diagram of soil decontamination process for the removal of uranium from contaminated soil was drawn out.

  16. Evaluation of NO2 predictions by the plume volume molar ratio method (PVMRM) and ozone limiting method (OLM) in AERMOD using new field observations.

    Science.gov (United States)

    Hendrick, Elizabeth M; Tino, Vincent R; Hanna, Steven R; Egan, Bruce A

    2013-07-01

    The U.S. Environmental Protection Agency (EPA) plume volume molar ratio method (PVMRM) and the ozone limiting method (OLM) are in the AERMOD model to predict the 1-hr average NO2/NO(x) concentration ratio. These ratios are multiplied by the AERMOD predicted NO(x) concentration to predict the 1-hr average NO2 concentration. This paper first briefly reviews PVMRM and OLM and points out some scientific parameterizations that could be improved (such as specification of relative dispersion coefficients) and then discusses an evaluation of the PVMRM and OLM methods as implemented in AERMOD using a new data set. While AERMOD has undergone many model evaluation studies in its default mode, PVMRM and OLM are nondefault options, and to date only three NO2 field data sets have been used in their evaluations. Here AERMOD/PVMRM and AERMOD/OLM codes are evaluated with a new data set from a northern Alaskan village with a small power plant. Hourly pollutant concentrations (NO, NO2, ozone) as well as meteorological variables were measured at a single monitor 500 m from the plant. Power plant operating parameters and emissions were calculated based on hourly operator logs. Hourly observations covering 1 yr were considered, but the evaluations only used hours when the wind was in a 60 degrees sector including the monitor and when concentrations were above a threshold. PVMRM is found to have little bias in predictions of the C(NO2)/C(NO(x)) ratio, which mostly ranged from 0.2 to 0.4 at this site. OLM overpredicted the ratio. AERMOD overpredicts the maximum NO(x) concentration but has an underprediction bias for lower concentrations. AERMOD/PVMRM overpredicts the maximum C(NO2) by about 50%, while AERMOD/OLM overpredicts by a factor of 2. For 381 hours evaluated, there is a relative mean bias in C(NO2) predictions of near zero for AERMOD/PVMRM, while the relative mean bias reflects a factor of 2 overprediction for AERMOD/OLM. This study was initiated because the new stringent 1-hr NO2

  17. Transporting large volumes of residual radioactive material: FUSRAP solutions

    International Nuclear Information System (INIS)

    Pressnell, T.; McDaniel, P.; Darby, J.

    1997-01-01

    During the 1940s, 1950s and 1960s, many sites in the United States were used by the Manhattan Engineer District and the Atomic Energy Commission for processing and storing uranium and thorium ores and metals. Some of the sites were owned by the federal government; others were owned by universities or other institutions; and still others, such as chemical plants, were privately owned. The Formerly Utilized Sites Remedial Action Program (FUSRAP) is one of several U.S. Department of Energy programs created to address radioactive contamination in excess of guidelines at these sites. FUSRAP currently includes 46 sites in 14 states. This article includes the following topics in describing FUSRAP work: Logistics challenges; engineering challenges (package inspection, equipment compatability, moisture content requirements, waste volume estimation); Traffic management

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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...

  3. 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.

  4. 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

  5. Cálculo do Volume Molar de um Gás de van der Waals em SCILAB: o Método Newton-Raphson na Resolução de um Problema Físico-Químico

    Directory of Open Access Journals (Sweden)

    Diogenes Filho

    2014-07-01

    Full Text Available The use of software in chemical calculations is a constant reality in both laboratories as well as in simulation processes of chemical transformations. Around addition, this publication discusses the use of the computer program in Scilab problems of chemical origin, especially in the case of calculating the molar volume of gas van der Waals forces. Discussions on the results of the use of this program with a view to the tools available for the calculation of a polynomial provide satisfactory conclusions on the use of mathematical methods in Physical Chemistry, especially the Newton-Raphson method.

  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. 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 ...

  8. [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.

  9. 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.

  10. 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.

  11. 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.

  12. 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

  13. 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.

  14. 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.

  15. 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...

  16. 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.

  17. 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

  18. 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.

  19. 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

  20. 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.

  1. 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

  2. Solution of volume-surface integral equations using higher-order hierarchical Legendre basis functions

    DEFF Research Database (Denmark)

    Kim, Oleksiy S.; Meincke, Peter; Breinbjerg, Olav

    2007-01-01

    The problem of electromagnetic scattering by composite metallic and dielectric objects is solved using the coupled volume-surface integral equation (VSIE). The method of moments (MoM) based on higher-order hierarchical Legendre basis functions and higher-order curvilinear geometrical elements...... with the analytical Mie series solution. Scattering by more complex metal-dielectric objects are also considered to compare the presented technique with other numerical methods....

  3. 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.

  4. 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.

  5. The effect of different molarities of precursor Zn(NO3)2.6H2O to the growth of ZnO by solution-immersion deposited on ZnO seeded template

    International Nuclear Information System (INIS)

    Afaah, A N; Asib, N A M; Aadila, A; Eswar, K A; Mahmud, M R; Khusaimi, Z; Alrokayan, Salman A H; Khan, Haseeb A; Mohamed, R; Rusop, M

    2015-01-01

    ZnO films were grown on glass substrates by mist-atomization, with the growth temperature of 300 °C to form ZnO seeded template. The ZnO seeded template then undergo second deposition method, which is solution-immersion method to grow ZnO on the ZnO seeded template thin film. The thin films were immersed in different molarities of starting materials; which are zinc nitrate hexahydrate and HMTA. The molarities were varied from 0.05, 0.10, 0.20 and 0.40 M. As a control to the study, the ZnO seeded template which undergoes mist-atomization only, denoted as MA only is prepared for comparison studies to the other samples. The properties of the products were examined by photoluminescence (PL) spectrophotometer, Raman spectrophotometer, and ultraviolet-visible (UV-Vis) spectrophotometer. From the PL measurement, it shows that 0.40 M sample have highest UV emission and from Raman measurements, it was found that the sample immersed in 0.40 M precursor have high crystal quality. From UV-Vis measurements, sharp UV emission at ∼378 nm is observed and 0.40 M ZnO thin film shows a better absorption properties. (paper)

  6. Colorimetric study of malvidin-3-O-glucoside copigmented by phenolic compounds: The effect of molar ratio, temperature, pH, and ethanol content on color expression of red wine model solutions.

    Science.gov (United States)

    Zhang, Bo; Yang, Xue-Shan; Li, Ning-Ning; Zhu, Xia; Sheng, Wen-Jun; He, Fei; Duan, Chang-Qing; Han, Shun-Yu

    2017-12-01

    In the recent research, the copigmentations of malvidin-3-O-glucoside with eight types of phenolic copigments have been investigated. The influence of the pigment/copigment molar ratio, the reaction temperature, the pH and the ethanol content of solutions has been examined. The results showed that the copigmentation effect was dependent on not only the particular structures of the phenolic compounds but also the factors of the reaction systems. The increase of the copigment concentration can strengthen the copigmentation effect, improve the solution color, and enhance the red-purple features. Different temperatures had different influences on the copigmentation reactions. The destruction of the copigmentation complexes can result in the hypsochromic shift of the reaction solution when the temperature was higher than 20°C. The bathochromic shift of the solution gradually progressed with the increase of the pH value. A significant copigmentation feature was spotted when pH reached 3.0, which demonstrates obvious red-purple characterization. The addition of the ethanol weakened the copigmentation effect. According to measurement through color analysis, it was found that the color differences caused by ethanol in red wine were typically attributed to quantitative changes. Remarkably, all of the above delicate color deviations caused by the structural or environmental factors can be precisely and conveniently depicted via the CIELAB space analysis. Copyright © 2017 Elsevier Ltd. All rights reserved.

  7. Excess Molar Volumes of the (Cyclohexane + Pentane, or Hexane, or Heptane, or Octane, or Nonane) Systems at Temperature 298.15 K

    Czech Academy of Sciences Publication Activity Database

    Balán, J.; Morávková, Lenka; Linek, Jan

    2007-01-01

    Roč. 61, č. 6 (2007), s. 497-501 ISSN 0366-6352 R&D Projects: GA ČR(CZ) GA104/06/0656 Institutional research plan: CEZ:AV0Z40720504 Keywords : hydrocarbon * density * excess volume Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.367, year: 2007

  8. Excess Molar Volumes of (Propiophenone + Benzene, or Toluene, or Ethylbenzene, or Butylbenzene) at Temperatures 298.15 K and 328.15 K

    Czech Academy of Sciences Publication Activity Database

    Morávková, Lenka; Linek, Jan

    2005-01-01

    Roč. 37, č. 9 (2005), s. 1023-1028 ISSN 0021-9614 R&D Projects: GA ČR(CZ) GA203/02/1098 Institutional research plan: CEZ:AV0Z40720504 Keywords : density * excess volume * temperature dependence Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.398, year: 2005

  9. Thermodynamic analysis of energy density in pressure retarded osmosis: The impact of solution volumes and costs

    International Nuclear Information System (INIS)

    Reimund, Kevin K.

    2015-01-01

    A general method was developed for estimating the volumetric energy efficiency of pressure retarded osmosis via pressure-volume analysis of a membrane process. The resulting model requires only the osmotic pressure, π, and mass fraction, w, of water in the concentrated and dilute feed solutions to estimate the maximum achievable specific energy density, uu, as a function of operating pressure. The model is independent of any membrane or module properties. This method utilizes equilibrium analysis to specify the volumetric mixing fraction of concentrated and dilute solution as a function of operating pressure, and provides results for the total volumetric energy density of similar order to more complex models for the mixing of seawater and riverwater. Within the framework of this analysis, the total volumetric energy density is maximized, for an idealized case, when the operating pressure is π(1+√w -1 ), which is lower than the maximum power density operating pressure, Δπ/2, derived elsewhere, and is a function of the solute osmotic pressure at a given mass fraction. It was also found that a minimum 1.45 kmol of ideal solute is required to produce 1 kWh of energy while a system operating at "maximum power density operating pressure" requires at least 2.9 kmol. Utilizing this methodology, it is possible to examine the effects of volumetric solution cost, operation of a module at various pressure, and operation of a constant pressure module with various feed.

  10. Thermodynamic analysis of energy density in pressure retarded osmosis: The impact of solution volumes and costs

    Energy Technology Data Exchange (ETDEWEB)

    Reimund, Kevin K. [Univ. of Connecticut, Storrs, CT (United States). Dept. of Chemical and Biomolecular Engineering; McCutcheon, Jeffrey R. [Univ. of Connecticut, Storrs, CT (United States). Dept. of Chemical and Biomolecular Engineering; Wilson, Aaron D. [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2015-08-01

    A general method was developed for estimating the volumetric energy efficiency of pressure retarded osmosis via pressure-volume analysis of a membrane process. The resulting model requires only the osmotic pressure, π, and mass fraction, w, of water in the concentrated and dilute feed solutions to estimate the maximum achievable specific energy density, uu, as a function of operating pressure. The model is independent of any membrane or module properties. This method utilizes equilibrium analysis to specify the volumetric mixing fraction of concentrated and dilute solution as a function of operating pressure, and provides results for the total volumetric energy density of similar order to more complex models for the mixing of seawater and riverwater. Within the framework of this analysis, the total volumetric energy density is maximized, for an idealized case, when the operating pressure is π/(1+√w⁻¹), which is lower than the maximum power density operating pressure, Δπ/2, derived elsewhere, and is a function of the solute osmotic pressure at a given mass fraction. It was also found that a minimum 1.45 kmol of ideal solute is required to produce 1 kWh of energy while a system operating at “maximum power density operating pressure” requires at least 2.9 kmol. Utilizing this methodology, it is possible to examine the effects of volumetric solution cost, operation of a module at various pressure, and operation of a constant pressure module with various feed.

  11. 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.

  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. Numerical solution of viscous and viscoelastic fluids flow through the branching channel by finite volume scheme

    Science.gov (United States)

    Keslerová, Radka; Trdlička, David

    2015-09-01

    This work deals with the numerical modelling of steady flows of incompressible viscous and viscoelastic fluids through the three dimensional channel with T-junction. The fundamental system of equations is the system of generalized Navier-Stokes equations for incompressible fluids. This system is based on the system of balance laws of mass and momentum for incompressible fluids. Two different mathematical models for the stress tensor are used for simulation of Newtonian and Oldroyd-B fluids flow. Numerical solution of the described models is based on cetral finite volume method using explicit Runge-Kutta time integration.

  14. Glass-surface area to solution-volume ratio and its implications to accelerated leach testing

    International Nuclear Information System (INIS)

    Pederson, L.R.; Buckwalter, C.Q.; McVay, G.L.; Riddle, B.L.

    1982-10-01

    The value of glass surface area to solution volume ratio (SA/V) can strongly influence the leaching rate of PNL 76-68 glass. The leaching rate is largely governed by silicon solubility constraints. Silicic acid in solution reduced the elemental release of all glass components. No components are leached to depths greater than that of silicon. The presence of the reaction layer had no measurable effect on the rate of leaching. Accelerated leach testing is possible since PNL 76-68 glass leaching is solubility-controlled (except at very low SA/V values). A series of glasses leached with SA/V x time = constant will yield identical elemental release

  15. 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.

  16. 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.

  17. 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.

  18. 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∞在研究温度下均为

  19. Effect of [Al] and [In] molar ratio in solutions on the growth and microstructure of electrodeposition Cu(In,Al)Se{sub 2} films

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Kuo-Chan; Liu, Chien-Lin; Hung, Pin-Kun [Institute of Microelectronics, Department of Electrical Engineering, National Cheng-Kung University, Tainan 701, Taiwan (China); Houng, Mau-Phon, E-mail: mphoung@eembox.ncku.edu.tw [Institute of Microelectronics, Department of Electrical Engineering, National Cheng-Kung University, Tainan 701, Taiwan (China)

    2013-05-15

    In this paper, the cyclic voltammetric studies were used to realize the element's reduction potential and chemical reaction mechanism for presuming the formation routes of quaternary Cu(In,Al)Se{sub 2} crystals. Thereafter, the prior adjustment of deposited potential from −0.6 V to −1.0 V can be identified a suitable potential as co-electrodeposition. The material characteristics of Cu(In,Al)Se{sub 2} films are dominated by the percentage of aluminum content. Thus, the influence of aluminum and indium concentrations in solutions on the percentage composition, surface morphology, structural and crystal properties, and optical energy band gap of Cu(In,Al)Se{sub 2} films were investigated. Energy dispersive X-ray spectroscopy (EDS) indicated that the ratio of Al to (Al + In) in Cu(In,Al)Se{sub 2} films varied from 0.21 to 0.42 when adjusting aluminum and indium concentrations in solutions. Scanning electron microscopy (SEM) shows that the surface morphology changed from round-like structures into cauliflower-like structures and became rough when the aluminum concentration increased and indium concentration decreased in solutions. X-ray diffraction (XRD) patterns revealed three preferred growth orientations along the (1 1 2), (2 0 4/2 2 0), and (1 1 6/3 1 2) planes for all species. The (αhυ){sup 2} versus hυ plots (UV–Visible) shows that the optical energy band gap of the Cu(In,Al)Se{sub 2} films can be successfully controlled from 1.17 eV to 1.48 eV by adjusting the aluminum and indium concentrations. Furthermore, the shift of the (1 1 2) peak in the XRD patterns and variation of optical band gap are evidence that the incorporation of aluminum atoms into the crystallitic CuInSe{sub 2} forms Cu(In,Al)Se{sub 2} crystals.

  20. Concentration dependence of the partial volume, viscosity, and electric conductivity of solutions of lithium salts in aliphatic alcohols

    International Nuclear Information System (INIS)

    Eliseeva, O.V.; Golubev, V.V.

    2003-01-01

    Concentration dependence of partial volumes, electric conductivity and viscosity of lithium nitrate and chloride solutions in methanol, propanol, isopropanol, butanol, isobutanol, pentanol and isopentanol at 298.15 K were studied by the methods of densimetry, conductometry and viscosimetry. Structural specific features of the solutions studied are discussed on the basis of the calculated volumetric characteristics of the substance dissolved and solvent [ru

  1. 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

  2. Finite Volume Element (FVE) discretization and multilevel solution of the axisymmetric heat equation

    Science.gov (United States)

    Litaker, Eric T.

    1994-12-01

    The axisymmetric heat equation, resulting from a point-source of heat applied to a metal block, is solved numerically; both iterative and multilevel solutions are computed in order to compare the two processes. The continuum problem is discretized in two stages: finite differences are used to discretize the time derivatives, resulting is a fully implicit backward time-stepping scheme, and the Finite Volume Element (FVE) method is used to discretize the spatial derivatives. The application of the FVE method to a problem in cylindrical coordinates is new, and results in stencils which are analyzed extensively. Several iteration schemes are considered, including both Jacobi and Gauss-Seidel; a thorough analysis of these schemes is done, using both the spectral radii of the iteration matrices and local mode analysis. Using this discretization, a Gauss-Seidel relaxation scheme is used to solve the heat equation iteratively. A multilevel solution process is then constructed, including the development of intergrid transfer and coarse grid operators. Local mode analysis is performed on the components of the amplification matrix, resulting in the two-level convergence factors for various combinations of the operators. A multilevel solution process is implemented by using multigrid V-cycles; the iterative and multilevel results are compared and discussed in detail. The computational savings resulting from the multilevel process are then discussed.

  3. Excess molar volumes and dynamic viscosities for binary mixtures of toluene + n-alkanes (C5-C10) at T = 298.15 K - Comparison with Prigogine-Flory-Patterson theory

    International Nuclear Information System (INIS)

    Iloukhani, Hossein; Rezaei-Sameti, Mahdi; Basiri-Parsa, Jalal

    2006-01-01

    Densities ρ, dynamic viscosities η, for binary mixtures of toluene with some n-alkanes, namely, n-pentane, n-hexane, n-heptane, n-octane, n-nonane, and n-decane have been measured over the complete composition range. Excess molar volumes V E , viscosity deviations Δη, and excess Gibbs free energy of activation ΔG * E , were calculated there from and were correlated by Redlich-Kister type function in terms of mole fractions. For mixtures of toluene with n-pentane and n-hexane the V E is negative and for the remaining systems is positive. The Δη values are negative for all the studied mixtures. The ΔG * E values shows the positive values for the binary mixtures with n-decane, whereas the negative values have been observed for all the remaining binary mixtures. From the results, the excess thermal expansivities at constant pressure α E , is also estimated. The Prigogine-Flory-Patterson (PFP) theory and its applicability in predicting V E is tested. The results obtained for viscosity of binary mixtures were used to test the semi-empirical relations of Grunberg and Nissan, Tamura and Kurata, Hind et al., Katti and Chaudhri, McAllister, Heric, Kendall, and Monroe. The experimental on the constituted binaries are analyzed to discus the nature and strength of intermolecular interactions in these mixtures

  4. Excess molar volumes, viscosities, and speeds of sound of the ternary mixture {l_brace}1-heptanol (1)+trichloroethylene (2)+methylcyclohexane (3){r_brace} at T=298.15K

    Energy Technology Data Exchange (ETDEWEB)

    Iloukhani, Hossein [Department of Chemistry, Faculty of Science, University of Bu-Ali Sina, Hamedan 65174 (Iran, Islamic Republic of)]. E-mail: iloukhani@basu.ac.ir; Samiey, Babak [Department of Chemistry, Faculty of Science, University of Lorestan, Khoramabad (Iran, Islamic Republic of)

    2007-02-15

    Densities ({rho}), viscosities ({eta}), and speeds of sound (u) of the ternary mixture (1-heptanol+trichloroethylene+methylcyclohexane) and the involved binary mixtures (1-heptanol+trichloroethylene) (1-heptanol+methylcyclohexane), and (trichloroethylene+methylcyclohexane) at 298.15K were measured over the whole composition range. The data obtained are used to calculate excess molar volumes (V{sup E}), excess isobaric thermal expansivity ({alpha}{sup E}), viscosity deviations ({delta}{eta}), excess Gibbs free energies of activation of viscous flow ({delta}G{sup *E}), and excess isentropic compressibilities ({kappa}{sub S}{sup E}) of the binary and ternary mixtures. The data of the binary systems were fitted to the Redlich-Kister equation while the best correlation method for the ternary system was found using the Nagata equation. Viscosities, speeds of sound and isentropic compressibilities of the binary and ternary mixtures have been correlated by means of several empirical and semi-empirical equations. The best correlation method for viscosities of binary systems is found using the Iulan et al. equation and for the ternary system using the McAllister equation. The best correlation method for speeds of sound and isentropic compressibilities of the binary systems is found using the IMR and for the ternary system using the IMR and JR.

  5. Ruptured tubal molar pregnancy

    African Journals Online (AJOL)

    2011-05-19

    May 19, 2011 ... In most instances, moles develop within the uterine cavity, but may occur at ... Patients with tubal molar pregnancy are very difficult to distinguish .... There was a left-sided adnexal mass, whose size could not be appreciated ...

  6. Molar Incisor Hypomineralisation

    NARCIS (Netherlands)

    Elfrink, M.; Weerheijm, K.L.

    2013-01-01

    Molar Incisor Hypomineralisation (mih) wordt omschreven als een hypomineralisatie (van systemische oorsprong) van één tot vier blijvende eerste molaren, vaak in combinatie met aangedane incisieven. mih-molaren zijn fragieler en cariësgevoeliger dan gewone molaren. Een kenmerk van mih-molaren is een

  7. Molar Incisor Hypomineralisation

    NARCIS (Netherlands)

    Elfrink, M.; Weerheijm, K.L.

    2009-01-01

    Molar Incisor Hypomineralisation (MIH) wordt gedefinieerd als een hypomineralisatie van systemische oorsprong van één tot vier blijvende eerste molaren, vaak in combinatie met aangedane incisieven. MIH-molaren zijn fragieler en cariësgevoeliger dan gewone molaren. Een kenmerk van MIH-molaren is een

  8. Molar Incisor Hypomineralisation

    NARCIS (Netherlands)

    Elfrink, M.; Weerheijm, K.

    2011-01-01

    Molar Incisor Hypomineralisation (mih ) wordt gedefinieerd als een hypomineralisatie van systemische oorsprong van één tot vier blijvende eerste molaren, vaak in combinatie met aangedane incisieven. mih -molaren zijn fragieler en cariësgevoeliger dan gewone molaren. Een kenmerk van mih -molaren is

  9. 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.

  10. Modelling the Hydraulic Behaviour of Growing Media with the Explicit Finite Volume Solution

    Directory of Open Access Journals (Sweden)

    Marco Carbone

    2015-02-01

    Full Text Available The increasing imperviousness of urban areas reduces the infiltration and evapotranspiration capacity of urban catchments and results in increased runoff. In the last few decades, several solutions and techniques have been proposed to prevent such impacts by restoring the hydrological cycle. A limiting factor in spreading the use of such systems is the lack of proper modelling tools for design, especially for the infiltration processes in a growing medium. In this research, a physically-based model, employing the explicit Finite Volume Method (FVM, is proposed for modelling infiltration into growing media. The model solves a modified version of the Richards equation using a formulation which takes into account the main characteristics of green infrastructure substrates. The proposed model was verified against the HYDRUS-1D software and the comparison of results confirmed the suitability of the proposed model for correctly describing the hydraulic behaviour of soil substrates.

  11. Challenges and solutions for high-volume testing of silicon photonics

    Science.gov (United States)

    Polster, Robert; Dai, Liang Yuan; Oikonomou, Michail; Cheng, Qixiang; Rumley, Sebastien; Bergman, Keren

    2018-02-01

    The first generation of silicon photonic products is now commercially available. While silicon photonics possesses key economic advantages over classical photonic platforms, it has yet to become a commercial success because these advantages can be fully realized only when high-volume testing of silicon photonic devices is made possible. We discuss the costs, challenges, and solutions of photonic chip testing as reported in the recent research literature. We define and propose three underlying paradigms that should be considered when creating photonic test structures: Design for Fast Coupling, Design for Minimal Taps, and Design for Parallel Testing. We underline that a coherent test methodology must be established prior to the design of test structures, and demonstrate how an optimized methodology dramatically reduces the burden when designing for test, by reducing the needed complexity of test structures.

  12. A safeguards verification technique for solution homogeneity and volume measurements in process tanks

    International Nuclear Information System (INIS)

    Suda, S.; Franssen, F.

    1987-01-01

    A safeguards verification technique is being developed for determining whether process-liquid homogeneity has been achieved in process tanks and for authenticating volume-measurement algorithms involving temperature corrections. It is proposed that, in new designs for bulk-handling plants employing automated process lines, bubbler probes and thermocouples be installed at several heights in key accountability tanks. High-accuracy measurements of density using an electromanometer can now be made which match or even exceed analytical-laboratory accuracies. Together with regional determination of tank temperatures, these measurements provide density, liquid-column weight and temperature gradients over the fill range of the tank that can be used to ascertain when the tank solution has reached equilibrium. Temperature-correction algorithms can be authenticated by comparing the volumes obtained from the several bubbler-probe liquid-height measurements, each based on different amounts of liquid above and below the probe. The verification technique is based on the automated electromanometer system developed by Brookhaven National Laboratory (BNL). The IAEA has recently approved the purchase of a stainless-steel tank equipped with multiple bubbler and thermocouple probes for installation in its Bulk Calibration Laboratory at IAEA Headquarters, Vienna. The verification technique is scheduled for preliminary trials in late 1987

  13. 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

  14. A model to estimate volume change due to radiolytic gas bubbles and thermal expansion in solution reactors

    International Nuclear Information System (INIS)

    Souto, F.J.; Heger, A.S.

    2001-01-01

    To investigate the effects of radiolytic gas bubbles and thermal expansion on the steady-state operation of solution reactors at the power level required for the production of medical isotopes, a calculational model has been developed. To validate this model, including its principal hypotheses, specific experiments at the Los Alamos National Laboratory SHEBA uranyl fluoride solution reactor were conducted. The following sections describe radiolytic gas generation in solution reactors, the equations to estimate the fuel solution volume change due to radiolytic gas bubbles and thermal expansion, the experiments conducted at SHEBA, and the comparison of experimental results and model calculations. (author)

  15. 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.

  16. 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

  17. 对、邻二甲苯和醋酸二元液体混合物在不同温度和压力下的密度和超额摩尔体积%Density and Excess Molar Volume of Binary Mixtures of p-Xylene+Acetic Acid and o-Xylene+Acetic Acid at Different Temperatures and Pressures

    Institute of Scientific and Technical Information of China (English)

    杨天宇; 夏淑倩; 邸志国; 马沛生

    2008-01-01

    A new apparatus was designed with a thick-walled glass capillary, electric heater tube with red copper and heat preservation. The thick-walled glass capillary was used for its advantages of resistance to acid corrosion and pressure, and ease of observation. The experimental densities over the entire range of mole fraction for the bi- nary mixture of p-xylene+acetic acid and o-xylene+acetic acid were measured using the new apparatus at tempera- tures ranging from 313.15K to 473.15K and pressure ranging from 0.20 to 2.0 MPa. The density values were used in the determination of excess molar volumes, VE. The Redlich-Kister equation was used to fit the excess molar volume values, and the coefficients and estimate of the standard error values were presented. The experimental re- suits prove that the density measurement apparatus is successful.

  18. 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.

  19. 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.

  20. 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

  1. 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

  2. On stability of exponential cosmological solutions with non-static volume factor in the Einstein-Gauss-Bonnet model

    Energy Technology Data Exchange (ETDEWEB)

    Ivashchuk, V.D. [VNIIMS, Center for Gravitation and Fundamental Metrology, Moscow (Russian Federation); Peoples' Friendship University of Russia (RUDN University), Institute of Gravitation and Cosmology, Moscow (Russian Federation)

    2016-08-15

    A (n + 1)-dimensional gravitational model with Gauss-Bonnet term and a cosmological constant term is considered. When ansatz with diagonal cosmological metrics is adopted, the solutions with an exponential dependence of the scale factors, a{sub i} ∝ exp(v{sup i}t), i = 1,.., n, are analyzed for n > 3. We study the stability of the solutions with non-static volume factor, i.e. K(v) = sum {sub k=1}{sup n} v{sup k} ≠ 0. We prove that under a certain restriction R imposed solutions with K(v) > 0 are stable, while solutions with K(v) < 0 are unstable. Certain examples of stable solutions are presented. We show that the solutions with v{sup 1} = v{sup 2} = v{sup 3} = H > 0 and zero variation of the effective gravitational constant are stable if the restriction R is obeyed. (orig.)

  3. 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.

  4. 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

  5. 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

  6. Deposition and separation of W and Mo from aqueous solutions with simultaneous hydrogen production in stacked bioelectrochemical systems (BESs): Impact of heavy metals W(VI)/Mo(VI) molar ratio, initial pH and electrode material.

    Science.gov (United States)

    Huang, Liping; Li, Ming; Pan, Yuzhen; Quan, Xie; Yang, Jinhui; Puma, Gianluca Li

    2018-04-16

    The deposition and separation of W and Mo from aqueous solutions with simultaneous hydrogen production was investigated in stacked bioelectrochemical systems (BESs) composed of microbial electrolysis cell (1#) serially connected with parallel connected microbial fuel cell (2#). The impact of W/Mo molar ratio (in the range 0.01 mM : 1 mM and vice-versa), initial pH (1.5 to 4.0) and cathode material (stainless steel mesh (SSM), carbon rod (CR) and titanium sheet (TS)) on the BES performance was systematically investigated. The concentration of Mo(VI) was more influential than W(VI) in determining the rate of deposition of both metals and the rate of hydrogen production. Complete metal recovery was achieved at equimolar W/Mo ratio of 0.05 mM : 0.05 mM. The rates of metal deposition and hydrogen production increased at acidic pH, with the fastest rates at pH 1.5. The morphology of the metal deposits and the valence of the Mo were correlated with W/Mo ratio and pH. CR cathodes (2#) coupled with SSM cathodes (1#) achieved a significant rate of hydrogen production (0.82 ± 0.04 m 3 /m 3 /d) with W and Mo deposition (0.049 ± 0.003 mmol/L/h and 0.140 ± 0.004 mmol/L/h (1#); 0.025 ± 0.001 mmol/L/h and 0.090 ± 0.006 mmol/L/h (2#)). Copyright © 2018 Elsevier B.V. All rights reserved.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. Influence of the temperature, volume and type of solution in the mercury vaporization of dental amalgam residue

    Energy Technology Data Exchange (ETDEWEB)

    Costa, Raquel dalla [Department of Chemical Engineering, State University of Maringa, Maringa - PR (Brazil)], E-mail: raqueldc_eng@yahoo.com.br; Cossich, Eneida Sala; Tavares, Celia Regina Granhen [Department of Chemical Engineering, State University of Maringa, Maringa - PR (Brazil)

    2008-12-15

    One of the qualitative methods for the identification of mercury vapor is what it occurs as a way of chemical reaction between palladium chloride and metallic mercury. Palladium chloride ribbons with yellowish coloration put in contact with the vaporized mercury of dental amalgam residue, liberates palladium and forms mercury chloride in your surface, and starts to have black coloration; this form identify the presence of the mercury vapor in the system. This work studies the influence of temperature, volume and type of barrier-solution in the vaporization of mercury during the period of storage of dental amalgam residues, aiming to establish the best conditions for storage of these residues. It was found that for all tested solutions, the longest storage times without any occurrence of mercury vaporization were obtained in the lowest temperatures tested and the largest solution volumes of barrier-solution. The radiographic effluent presented bigger efficacy in the reduction of the volatilization, increasing the period when the residue was stored, however the analysis of this solution after the vaporization test showed the presence of organic mercury. These results show that water is the most efficient barrier against the vaporization of mercury, since it did not result in organic mercury formation in the effluent solution from the storage process.

  13. Influence of the temperature, volume and type of solution in the mercury vaporization of dental amalgam residue

    International Nuclear Information System (INIS)

    Costa, Raquel dalla; Cossich, Eneida Sala; Tavares, Celia Regina Granhen

    2008-01-01

    One of the qualitative methods for the identification of mercury vapor is what it occurs as a way of chemical reaction between palladium chloride and metallic mercury. Palladium chloride ribbons with yellowish coloration put in contact with the vaporized mercury of dental amalgam residue, liberates palladium and forms mercury chloride in your surface, and starts to have black coloration; this form identify the presence of the mercury vapor in the system. This work studies the influence of temperature, volume and type of barrier-solution in the vaporization of mercury during the period of storage of dental amalgam residues, aiming to establish the best conditions for storage of these residues. It was found that for all tested solutions, the longest storage times without any occurrence of mercury vaporization were obtained in the lowest temperatures tested and the largest solution volumes of barrier-solution. The radiographic effluent presented bigger efficacy in the reduction of the volatilization, increasing the period when the residue was stored, however the analysis of this solution after the vaporization test showed the presence of organic mercury. These results show that water is the most efficient barrier against the vaporization of mercury, since it did not result in organic mercury formation in the effluent solution from the storage process

  14. 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...

  15. 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

  16. 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.

  17. 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.

  18. 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.

  19. Advances in the discrete ordinates and finite volume methods for the solution of radiative heat transfer problems in participating media

    International Nuclear Information System (INIS)

    Coelho, Pedro J.

    2014-01-01

    Many methods are available for the solution of radiative heat transfer problems in participating media. Among these, the discrete ordinates method (DOM) and the finite volume method (FVM) are among the most widely used ones. They provide a good compromise between accuracy and computational requirements, and they are relatively easy to integrate in CFD codes. This paper surveys recent advances on these numerical methods. Developments concerning the grid structure (e.g., new formulations for axisymmetrical geometries, body-fitted structured and unstructured meshes, embedded boundaries, multi-block grids, local grid refinement), the spatial discretization scheme, and the angular discretization scheme are described. Progress related to the solution accuracy, solution algorithm, alternative formulations, such as the modified DOM and FVM, even-parity formulation, discrete-ordinates interpolation method and method of lines, and parallelization strategies is addressed. The application to non-gray media, variable refractive index media, and transient problems is also reviewed. - Highlights: • We survey recent advances in the discrete ordinates and finite volume methods. • Developments in spatial and angular discretization schemes are described. • Progress in solution algorithms and parallelization methods is reviewed. • Advances in the transient solution of the radiative transfer equation are appraised. • Non-gray media and variable refractive index media are briefly addressed

  20. 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

  1. 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

  2. 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...

  3. 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

  4. 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.

  5. Effect of container, vitrification volume and warming solution on cryosurvival of in vitro-produced bovine embryos.

    Science.gov (United States)

    Rios, G L; Mucci, N C; Kaiser, G G; Alberio, R H

    2010-03-01

    The aim of the present research was to develop a low cost and easy to perform vitrification method for in vitro-produced cattle embryos. Effect of container material was evaluated (plastic straw compared to glass capillary, experiment 1), two volume sample (1 compared to 0.5 microL, experiment 2) and warming solution composition medium (Tissue Culture Medium 199 (TCM-199) compared to phosphate buffered saline (PBS), experiment 3) as modifications of the open pulled straw (OPS) system in order to reduce embryo damage caused by exposure to cold. In all experiments, day 7 and expanded blastocysts of cattle were exposed to the vitrification solution 1 for 3 min and 30s in solution 2. After this, embryos were placed in a droplet and loaded in a narrow end container, and immediately submerged into liquid nitrogen. For warming, vitrified embryos were plunged into warming solution 1 for 3 min, and transferred into warming solution 2 for 1 min. Fresh embryos kept in culture were used as control group. Hatching rates were recorded in all cases at day 13. In experiment 1 there was no significant effect of container material on hatching rates. Postwarming survival rate of vitrified embryos was lower than control (27.5% plastic straws, 18.9% glass capillary and 80.5% control, Pstraw (OPS) procedure, and that PBS can replace TCM-199 in warming solutions, but lesser hatching rates should be expected.

  6. Strategies for Small Volume Resuscitation: Hyperosmotic-Hyperoncotic Solutions, Hemoglobin Based Oxygen Carriers and Closed-Loop Resuscitation

    Science.gov (United States)

    Kramer, George C.; Wade, Charles E.; Dubick, Michael A.; Atkins, James L.

    2004-01-01

    Introduction: Logistic constraints on combat casualty care preclude traditional resuscitation strategies which can require volumes and weights 3 fold or greater than hemorrhaged volume. We present a review of quantitative analyses of clinical and animal data on small volume strategies using 1) hypertonic-hyperosmotic solutions (HHS); 2) hemoglobin based oxygen carriers (HBOCs) and 3) closed-loop infusion regimens.Methods and Results: Literature searches and recent queries to industry and academic researchers have allowed us to evaluate the record of 81 human HHS studies (12 trauma trials), 19 human HBOCs studies (3trauma trials) and two clinical studies of closed-loop resuscitation.There are several hundreds animal studies and at least 82 clinical trials and reports evaluating small volume7.2%-7.5% hypertonic saline (HS) most often combined with colloids, e.g., dextran (HSD) or hetastarch(HSS). HSD and HSS data has been published for 1,108 and 392 patients, respectively. Human studies have documented volume sparing and hemodynamic improvements. Meta-analyses suggest improved survival for hypotensive trauma patients treated with HSD with significant reductions in mortality found for patients with blood pressure blood use and lower mortality compared to historic controls of patients refusing blood. Transfusion reductions with HBOC use have been modest. Two HBOCs (Hemopure and Polyheme) are now in new or planned large-scale multicenter prehospital trials of trauma treatment. A new implementation of small volume resuscitation is closed-loop resuscitation (CLR), which employs microprocessors to titrate just enough fluid to reach a physiologic target . Animal studies suggest less risk of rebleeding in uncontrolled hemorrhage and a reduction in fluid needs with CLR. The first clinical application of CLR was treatment of burn shock and the US Army. Conclusions: Independently sponsored civilian trauma trials and clinical evaluations in operational combat conditions of

  7. 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.

  8. Volume regulation in mammalian skeletal muscle: the role of sodium-potassium-chloride cotransporters during exposure to hypertonic solutions.

    Science.gov (United States)

    Lindinger, Michael I; Leung, Matthew; Trajcevski, Karin E; Hawke, Thomas J

    2011-06-01

    Controversy exists as to whether mammalian skeletal muscle is capable of volume regulation in response to changes in extracellular osmolarity despite evidence that muscle fibres have the required ion transport mechanisms to transport solute and water in situ. We addressed this issue by studying the ability of skeletal muscle to regulate volume during periods of induced hyperosmotic stress using single, mouse extensor digitorum longus (EDL) muscle fibres and intact muscle (soleus and EDL). Fibres and intact muscles were loaded with the fluorophore, calcein, and the change in muscle fluorescence and width (single fibres only) used as a metric of volume change. We hypothesized that skeletal muscle exposed to increased extracellular osmolarity would elicit initial cellular shrinkage followed by a regulatory volume increase (RVI) with the RVI dependent on the sodium–potassium–chloride cotransporter (NKCC). We found that single fibres exposed to a 35% increase in extracellular osmolarity demonstrated a rapid, initial 27–32% decrease in cell volume followed by a RVI which took 10-20 min and returned cell volume to 90–110% of pre-stimulus values. Within intact muscle, exposure to increased extracellular osmolarity of varying degrees also induced a rapid, initial shrinkage followed by a gradual RVI, with a greater rate of initial cell shrinkage and a longer time for RVI to occur with increasing extracellular tonicities. Furthermore, RVI was significantly faster in slow-twitch soleus than fast-twitch EDL. Pre-treatment of muscle with bumetanide (NKCC inhibitor) or ouabain (Na+,K+-ATPase inhibitor), increased the initial volume loss and impaired the RVI response to increased extracellular osmolarity indicating that the NKCC is a primary contributor to volume regulation in skeletal muscle. It is concluded that mouse skeletal muscle initially loses volume then exhibits a RVI when exposed to increases in extracellular osmolarity. The rate of RVI is dependent on the

  9. Nonlinear Effects in Osmotic Volume Flows of Electrolyte Solutions through Double-Membrane System

    NARCIS (Netherlands)

    Slezak, A.; Jasik-Slezak, J.; Grzegorczyn, S.; Slezak-Prochazka, I.

    The results of experimental study of volume osmotic flows in a double-membrane system are presented in this article. The double-membrane system consists of two membranes (M-u, M-d) oriented in horizontal planes and three identical compartments (u, m, d), containing unstirred binary or ternary ionic

  10. Residual volume measurements in CAPD patients with exogenous and endogenous solutes

    NARCIS (Netherlands)

    Imholz, A. L.; Koomen, G. C.; Struijk, D. G.; Arisz, L.; Krediet, R. T.

    1992-01-01

    Accurate residual volume (RV) measurements are needed in studies on fluid kinetics during CAPD. In this study 10 stable CAPD patients were examined twice within 1 week. On both occasions RV after drainage was calculated by the indicator dilution method. Exogenous (dextran 70, inulin) and endogenous

  11. 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.

  12. 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.

  13. RELAP5/MOD3 code manual: Code structure, system models, and solution methods. Volume 1

    International Nuclear Information System (INIS)

    1995-08-01

    The RELAP5 code has been developed for best estimate transient simulation of light water reactor coolant systems during postulated accidents. The code models the coupled behavior of the reactor coolant system and the core for loss-of-coolant accidents, and operational transients, such as anticipated transient without scram, loss of offsite power, loss of feedwater, and loss of flow. A generic modeling, approach is used that permits simulating a variety of thermal hydraulic systems. Control system and secondary system components are included to permit modeling of plant controls, turbines, condensers, and secondary feedwater systems. RELAP5/MOD3 code documentation is divided into seven volumes: Volume I provides modeling theory and associated numerical schemes

  14. ATHENA code manual. Volume 1. Code structure, system models, and solution methods

    International Nuclear Information System (INIS)

    Carlson, K.E.; Roth, P.A.; Ransom, V.H.

    1986-09-01

    The ATHENA (Advanced Thermal Hydraulic Energy Network Analyzer) code has been developed to perform transient simulation of the thermal hydraulic systems which may be found in fusion reactors, space reactors, and other advanced systems. A generic modeling approach is utilized which permits as much of a particular system to be modeled as necessary. Control system and secondary system components are included to permit modeling of a complete facility. Several working fluids are available to be used in one or more interacting loops. Different loops may have different fluids with thermal connections between loops. The modeling theory and associated numerical schemes are documented in Volume I in order to acquaint the user with the modeling base and thus aid effective use of the code. The second volume contains detailed instructions for input data preparation

  15. Account of volume heat capacity on interface in numerical solution of the Stephen problem using the strained coordinates method

    International Nuclear Information System (INIS)

    Latynin, V.A.; Reshetov, V.A.; Karaseva, L.N.

    1988-01-01

    Numerical solution of the Stephen problem by the strained coordinate method is presented for an one-dimensional sphere. Differential formulae of heat fluxes from moving interfaces do not take into account volume heat capacities of the front nodes. Calculations, carried out according to these balanced formulae, as well as according to those usually used, have shown that the balanced formulae permit to reduce approximately by an order the number of nodes on the sphere radius, if similar accuracy of heat balance of the whole process of melting or crystallization is observed. 2 refs.; 1 fig

  16. Molecular theory for nuclear magnetic relaxation in protein solutions and tissue; Surface diffusion and free-volume analogy

    Energy Technology Data Exchange (ETDEWEB)

    Kimmich, R; Nusser, W; Gneiting, T [Ulm Universitaet (Federal Republic of Germany). Sektion Kernresonanzspektroskopie

    1990-04-01

    A model theory is presented explaining a series of striking phenomena observed with nuclear magnetic relaxation in protein systems such as solutions or tissue. The frequency, concentration and temperature dependences of proton or deuteron relaxation times of protein solutions and tissue are explained. It is concluded that the translational diffusion of water molecules along the rugged surfaces of proteins and, to a minor degree, protein backbone fluctuations are crucial processes. The rate limiting factor of macromolecular tumbling is assumed to be given by the free water content in a certain analogy to the free-volume model of Cohen ad Turnbull. There are two characteristic water mass fractions indicating the saturation of the hydration shells and the onset of protein tumbling. A closed and relatively simple set of relaxation formulas is presented. The potentially fractal nature of the diffusion of water molecules on the protein surface is discussed. (author). 43 refs.; 4 figs.

  17. 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...

  18. Strategies for Small Volume Resuscitation: Hyperosmotic-Hyperoncotic Solutions, Hemoglobin Based Oxygen Carriers and Closed-Loop Resuscitation

    Science.gov (United States)

    Kramer, George C.; Wade, Charles E.; Dubick, Michael A.; Atkins, James L.

    2004-01-01

    Introduction: Logistic constraints on combat casualty care preclude traditional resuscitation strategies which can require volumes and weights 3 fold or greater than hemorrhaged volume. We present a review of quantitative analyses of clinical and animal data on small volume strategies using 1) hypertonic-hyperosmotic solutions (HHS); 2) hemoglobin based oxygen carriers (HBOCs) and 3) closed-loop infusion regimens.Methods and Results: Literature searches and recent queries to industry and academic researchers have allowed us to evaluate the record of 81 human HHS studies (12 trauma trials), 19 human HBOCs studies (3trauma trials) and two clinical studies of closed-loop resuscitation.There are several hundreds animal studies and at least 82 clinical trials and reports evaluating small volume7.2%-7.5% hypertonic saline (HS) most often combined with colloids, e.g., dextran (HSD) or hetastarch(HSS). HSD and HSS data has been published for 1,108 and 392 patients, respectively. Human studies have documented volume sparing and hemodynamic improvements. Meta-analyses suggest improved survival for hypotensive trauma patients treated with HSD with significant reductions in mortality found for patients with blood pressure surgery. HSD and HSS have received regulatory approval in 14 and 3 countries, respectively, with 81,000+ units sold. The primary reported use was head injury and trauma resuscitation. Complications and reported adverse events are surprisingly rare and not significantly different from other solutions.HBOCs are potent volume expanders in addition to oxygen carriers with volume expansion greater than standard colloids. Several investigators have evaluated small volume hyperoncotic HBOCs or HS-HBOC formulations for hypotensive and normotensive resuscitation in animals. A consistent finding in resuscitation with HBOCs is depressed cardiac output. There is some evidence that HBOCs more efficiently unload oxygen from plasma hemoglobin as well as facilitate RBC

  19. In situ sampling of small volumes of soil solution using modified micro-suction cups

    NARCIS (Netherlands)

    Shen, Jianbo; Hoffland, E.

    2007-01-01

    Two modified designs of micro-pore-water samplers were tested for their capacity to collect unbiased soil solution samples containing zinc and citrate. The samplers had either ceramic or polyethersulfone (PES) suction cups. Laboratory tests of the micro-samplers were conducted using (a) standard

  20. 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

  1. 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

  2. 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.

  3. Explicit solution of the time domain volume integral equation using a stable predictor-corrector scheme

    KAUST Repository

    Al Jarro, Ahmed; Salem, Mohamed; Bagci, Hakan; Benson, Trevor; Sewell, Phillip D.; Vuković, Ana

    2012-01-01

    An explicit marching-on-in-time (MOT) scheme for solving the time domain volume integral equation is presented. The proposed method achieves its stability by employing, at each time step, a corrector scheme, which updates/corrects fields computed by the explicit predictor scheme. The proposedmethod is computationally more efficient when compared to the existing filtering techniques used for the stabilization of explicit MOT schemes. Numerical results presented in this paper demonstrate that the proposed method maintains its stability even when applied to the analysis of electromagnetic wave interactions with electrically large structures meshed using approximately half a million discretization elements.

  4. Explicit solution of the time domain volume integral equation using a stable predictor-corrector scheme

    KAUST Repository

    Al Jarro, Ahmed

    2012-11-01

    An explicit marching-on-in-time (MOT) scheme for solving the time domain volume integral equation is presented. The proposed method achieves its stability by employing, at each time step, a corrector scheme, which updates/corrects fields computed by the explicit predictor scheme. The proposedmethod is computationally more efficient when compared to the existing filtering techniques used for the stabilization of explicit MOT schemes. Numerical results presented in this paper demonstrate that the proposed method maintains its stability even when applied to the analysis of electromagnetic wave interactions with electrically large structures meshed using approximately half a million discretization elements.

  5. Modeling study of solute transport in the unsaturated zone. Information and data sets. Volume 1

    International Nuclear Information System (INIS)

    Polzer, W.L.; Fuentes, H.R.; Springer, E.P.; Nyhan, J.W.

    1986-05-01

    The Environmental Science Group (HSE-12) is conducting a study to compare various approaches of modeling water and solute transport in porous media. Various groups representing different approaches will model a common set of transport data so that the state of the art in modeling and field experimentation can be discussed in a positive framework with an assessment of current capabilities and future needs in this area of research. This paper provides information and sets of data that will be useful to the modelers in meeting the objectives of the modeling study. The information and data sets include: (1) a description of the experimental design and methods used in obtaining solute transport data, (2) supporting data that may be useful in modeling the data set of interest, and (3) the data set to be modeled

  6. High Productivity DRIE solutions for 3D-SiP and MEMS Volume Manufacturing

    International Nuclear Information System (INIS)

    Puech, M; Thevenoud, J M; Launay, N; Arnal, N; Godinat, P; Andrieu, B; Gruffat, J M

    2006-01-01

    Emerging 3D-SiP technologies and high volume MEMS applications require high productivity mass production DRIE systems. The Alcatel DRIE product range has recently been optimised to reach the highest process and hardware production performances. A study based on sub-micron high aspect ratio structures encountered in the most stringent 3D-SiP has been carried out. The optimization of the Bosch process parameters has resulted in ultra high silicon etch rates, with unrivalled uniformity and repeatability leading to excellent process. In parallel, most recent hardware and proprietary design optimization including vacuum pumping lines, process chamber, wafer chucks, pressure control system, gas delivery are discussed. These improvements have been monitored in a mass production environment for a mobile phone application. Field data analysis shows a significant reduction of cost of ownership thanks to increased throughput and much lower running costs. These benefits are now available for all 3D-SiP and high volume MEMS applications. The typical etched patterns include tapered trenches for CMOS imagers, through silicon via holes for die stacking, well controlled profile angle for 3D high precision inertial sensors, and large exposed area features for inkjet printer heads and Silicon microphones

  7. Demonstration of an automated electromanometer for measurement of solution volume in accountability vessels

    International Nuclear Information System (INIS)

    Suda, S.; Keisch, B.; Hayashi, M.; Onuma, T.; Fukuari, Y.

    1981-09-01

    A system for measuring the liquid volume in input and plutonium product accountability vessels, based upon a desktop-computer-controlled electromanometer, was installed at the Tokai-Mura reprocessing plant. In-tank temperatures, pressure measurements relating to volume and density, and load-cell weights are measured cyclically and recorded. The system feasibility was demonstrated through a series of tests including vessel calibration and the effects of thermal expansion, and through use during thirteen months of on-line plant operation. The value to the operator of the recording, display, replay, data handling, and report generation features of the system was demonstrated as was the enhanced precision of the electromanometer as compared to the conventional water-filled manometer system. The automated electromanometer system consists of a pneumatic scanner, a precision electromanometer, electronic scanner, a digital voltmeter, and a desktop computer with disc and tape mass storage, cathode-ray tube (CRT) graphics display, and printer output. The desktop computer is used to control the pneumatic and electronic scanners and the digital voltmeter and to log in the measurement data

  8. The effects of the glass surface area/solution volume ratio on glass corrosion: A critical review

    International Nuclear Information System (INIS)

    Ebert, W.L.

    1995-03-01

    This report reviews and summarizes the present state of knowledge regarding the effects of the glass surface area/solution volume (SA/V) ratio on the corrosion behavior of borosilicate waste glasses. The SA/V ratio affects the rate of glass corrosion through the extent of dilution of corrosion products released from the glass into the leachate solution: glass corrosion products are diluted more in tests conducted at low SA/V ratios than they are in tests conducted at high SA/V ratios. Differences in the solution chemistries generated in tests conducted at different SA/V ratios then affect the observed glass corrosion behavior. Therefore, any testing parameter that affects the solution chemistry will also affect the glass corrosion rate. The results of static leach tests conducted to assess the effects of the SA/V are discussed with regard to the effects of SA/V on the solution chemistry. Test results show several remaining issues with regard to the long-term glass corrosion behavior: can the SA/V ratio be used as an accelerating parameter to characterize the advanced stages of glass corrosion relevant to long disposal times; is the alteration of the glass surface the same in tests conducted at different SA/V, and in tests conducted with monolithic and crushed glass samples; what are the effects of the SA/V and the extent of glass corrosion on the disposition of released radionuclides? These issues will bear on the prediction of the long-term performance of waste glasses during storage. The results of an experimental program conducted at ANL to address these and other remaining issues regarding the effects of SA/V on glass corrosion are described. 288 refs., 59 figs., 16 tabs

  9. The effects of the glass surface area/solution volume ratio on glass corrosion: A critical review

    Energy Technology Data Exchange (ETDEWEB)

    Ebert, W.L. [Argonne National Lab., IL (United States). Chemical Technology Div.

    1995-03-01

    This report reviews and summarizes the present state of knowledge regarding the effects of the glass surface area/solution volume (SA/V) ratio on the corrosion behavior of borosilicate waste glasses. The SA/V ratio affects the rate of glass corrosion through the extent of dilution of corrosion products released from the glass into the leachate solution: glass corrosion products are diluted more in tests conducted at low SA/V ratios than they are in tests conducted at high SA/V ratios. Differences in the solution chemistries generated in tests conducted at different SA/V ratios then affect the observed glass corrosion behavior. Therefore, any testing parameter that affects the solution chemistry will also affect the glass corrosion rate. The results of static leach tests conducted to assess the effects of the SA/V are discussed with regard to the effects of SA/V on the solution chemistry. Test results show several remaining issues with regard to the long-term glass corrosion behavior: can the SA/V ratio be used as an accelerating parameter to characterize the advanced stages of glass corrosion relevant to long disposal times; is the alteration of the glass surface the same in tests conducted at different SA/V, and in tests conducted with monolithic and crushed glass samples; what are the effects of the SA/V and the extent of glass corrosion on the disposition of released radionuclides? These issues will bear on the prediction of the long-term performance of waste glasses during storage. The results of an experimental program conducted at ANL to address these and other remaining issues regarding the effects of SA/V on glass corrosion are described. 288 refs., 59 figs., 16 tabs.

  10. A solution of two-dimensional magnetohydrodynamic flow using the finite volume method

    Directory of Open Access Journals (Sweden)

    Naceur Sonia

    2014-01-01

    Full Text Available This paper presents the two dimensional numerical modeling of the coupling electromagnetic-hydrodynamic phenomena in a conduction MHD pump using the Finite volume Method. Magnetohydrodynamic problems are, thus, interdisciplinary and coupled, since the effect of the velocity field appears in the magnetic transport equations, and the interaction between the electric current and the magnetic field appears in the momentum transport equations. The resolution of the Maxwell's and Navier Stokes equations is obtained by introducing the magnetic vector potential A, the vorticity z and the stream function y. The flux density, the electromagnetic force, and the velocity are graphically presented. Also, the simulation results agree with those obtained by Ansys Workbench Fluent software.

  11. 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.

  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. 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.

  14. 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.

  15. 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.

  16. Parallel PWTD-Accelerated Explicit Solution of the Time Domain Electric Field Volume Integral Equation

    KAUST Repository

    Liu, Yang

    2016-03-25

    A parallel plane-wave time-domain (PWTD)-accelerated explicit marching-on-in-time (MOT) scheme for solving the time domain electric field volume integral equation (TD-EFVIE) is presented. The proposed scheme leverages pulse functions and Lagrange polynomials to spatially and temporally discretize the electric flux density induced throughout the scatterers, and a finite difference scheme to compute the electric fields from the Hertz electric vector potentials radiated by the flux density. The flux density is explicitly updated during time marching by a predictor-corrector (PC) scheme and the vector potentials are efficiently computed by a scalar PWTD scheme. The memory requirement and computational complexity of the resulting explicit PWTD-PC-EFVIE solver scale as ( log ) s s O N N and ( ) s t O N N , respectively. Here, s N is the number of spatial basis functions and t N is the number of time steps. A scalable parallelization of the proposed MOT scheme on distributed- memory CPU clusters is described. The efficiency, accuracy, and applicability of the resulting (parallelized) PWTD-PC-EFVIE solver are demonstrated via its application to the analysis of transient electromagnetic wave interactions on canonical and real-life scatterers represented with up to 25 million spatial discretization elements.

  17. Small volume resuscitation with hypertonic sodium chloride solution in cattle undergoing surgical correction of abomasal volvulus

    DEFF Research Database (Denmark)

    Sickinger, M.; Doll, K.; Roloff, N. C.

    2014-01-01

    .5±2.1 vs. 10.3±3.3cm H2O, respectively). Within the first 60min, the base excess decreased from 5.5±6.9 to 4.7±6.2mmol/L in the hypertonic group whereas it increased from 5.6±5.7 to 6.8±5.4mmol/L in the isotonic group. These results suggest that for cows with abomasal volvulus, IV therapy with hypertonic...... had a significantly greater reduction in volume deficit within the first 10min of therapy than cows treated with isotonic saline (from 5.9±4.8 to 2.1±4.4L/100kg vs. 7.0±4.5 to 4.9±3.8L/100kg, respectively). The central venous pressure (CVP) of the cows given the hypertonic saline rose within the first...... 10 min of therapy from 7.3±3.5 to 10.8±3.4cm H2O, while the CVP of the cattle treated with isotonic saline did not increase significantly during this time.Sixty minutes after the start of the infusion, the CVP of the isotonic group was still significantly lower than that of the hypertonic group (9...

  18. Parallel PWTD-Accelerated Explicit Solution of the Time Domain Electric Field Volume Integral Equation

    KAUST Repository

    Liu, Yang; Al-Jarro, Ahmed; Bagci, Hakan; Michielssen, Eric

    2016-01-01

    A parallel plane-wave time-domain (PWTD)-accelerated explicit marching-on-in-time (MOT) scheme for solving the time domain electric field volume integral equation (TD-EFVIE) is presented. The proposed scheme leverages pulse functions and Lagrange polynomials to spatially and temporally discretize the electric flux density induced throughout the scatterers, and a finite difference scheme to compute the electric fields from the Hertz electric vector potentials radiated by the flux density. The flux density is explicitly updated during time marching by a predictor-corrector (PC) scheme and the vector potentials are efficiently computed by a scalar PWTD scheme. The memory requirement and computational complexity of the resulting explicit PWTD-PC-EFVIE solver scale as ( log ) s s O N N and ( ) s t O N N , respectively. Here, s N is the number of spatial basis functions and t N is the number of time steps. A scalable parallelization of the proposed MOT scheme on distributed- memory CPU clusters is described. The efficiency, accuracy, and applicability of the resulting (parallelized) PWTD-PC-EFVIE solver are demonstrated via its application to the analysis of transient electromagnetic wave interactions on canonical and real-life scatterers represented with up to 25 million spatial discretization elements.

  19. Finite volume approximation of the three-dimensional flow equation in axisymmetric, heterogeneous porous media based on local analytical solution

    KAUST Repository

    Salama, Amgad

    2013-09-01

    In this work the problem of flow in three-dimensional, axisymmetric, heterogeneous porous medium domain is investigated numerically. For this system, it is natural to use cylindrical coordinate system, which is useful in describing phenomena that have some rotational symmetry about the longitudinal axis. This can happen in porous media, for example, in the vicinity of production/injection wells. The basic feature of this system is the fact that the flux component (volume flow rate per unit area) in the radial direction is changing because of the continuous change of the area. In this case, variables change rapidly closer to the axis of symmetry and this requires the mesh to be denser. In this work, we generalize a methodology that allows coarser mesh to be used and yet yields accurate results. This method is based on constructing local analytical solution in each cell in the radial direction and moves the derivatives in the other directions to the source term. A new expression for the harmonic mean of the hydraulic conductivity in the radial direction is developed. Apparently, this approach conforms to the analytical solution for uni-directional flows in radial direction in homogeneous porous media. For the case when the porous medium is heterogeneous or the boundary conditions is more complex, comparing with the mesh-independent solution, this approach requires only coarser mesh to arrive at this solution while the traditional methods require more denser mesh. Comparisons for different hydraulic conductivity scenarios and boundary conditions have also been introduced. © 2013 Elsevier B.V.

  20. 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)

  1. Estudo experimental do volume molar excesso de soluções de dietil-1mina/acetonitrila e s-butil-amina/acetonitrila na faixa de 288,15 a 303,15k, a pressão atmosferica, com aplicação do modelo Eras

    OpenAIRE

    Ricardo Belchior Torres

    1998-01-01

    Resumo: Neste trabalho estudou-se o volume molar excesso vE de soluções de dietil-amina + acetonitrila e s-butil-amina + acetonitrila, à pressão atmosférica, em função da composição e temperatura. A metodologia utilizada foi a densitometria, utilizando um densímetro de oscilação mecânica fabricado pela Anton Paar (Modelo DMA 55). Os dados experimentais foram ajustados em função da composição e da temperatura, através de um polinômio de Redlich-Kister, e utilizados nos cálculos de grandezas as...

  2. 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

  3. 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.

  4. 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.

  5. Fracture behavior of human molars.

    Science.gov (United States)

    Keown, Amanda J; Lee, James J-W; Bush, Mark B

    2012-12-01

    Despite the durability of human teeth, which are able to withstand repeated loading while maintaining form and function, they are still susceptible to fracture. We focus here on longitudinal fracture in molar teeth-channel-like cracks that run along the enamel sidewall of the tooth between the gum line (cemento-enamel junction-CEJ) and the occlusal surface. Such fractures can often be painful and necessitate costly restorative work. The following study describes fracture experiments made on molar teeth of humans in which the molars are placed under axial compressive load using a hard indenting plate in order to induce longitudinal cracks in the enamel. Observed damage modes include fractures originating in the occlusal region ('radial-median cracks') and fractures emanating from the margin of the enamel in the region of the CEJ ('margin cracks'), as well as 'spalling' of enamel (the linking of longitudinal cracks). The loading conditions that govern fracture behavior in enamel are reported and observations made of the evolution of fracture as the load is increased. Relatively low loads were required to induce observable crack initiation-approximately 100 N for radial-median cracks and 200 N for margin cracks-both of which are less than the reported maximum biting force on a single molar tooth of several hundred Newtons. Unstable crack growth was observed to take place soon after and occurred at loads lower than those calculated by the current fracture models. Multiple cracks were observed on a single cusp, their interactions influencing crack growth behavior. The majority of the teeth tested in this study were noted to exhibit margin cracks prior to compression testing, which were apparently formed during the functional lifetime of the tooth. Such teeth were still able to withstand additional loading prior to catastrophic fracture, highlighting the remarkable damage containment capabilities of the natural tooth structure.

  6. Excess Molar Volumes of (Benzene + Isopropylbenzene, or 1,3,5-Trimethylbenzene, or 1,2,4-Trimethylbenzene) at Temperatures between 298.15 K and 328.15 K

    Czech Academy of Sciences Publication Activity Database

    Morávková, Lenka; Linek, Jan

    2003-01-01

    Roč. 35, č. 7 (2003), s. 1139-1149 ISSN 0021-9614 R&D Projects: GA ČR GA203/02/1098 Institutional research plan: CEZ:AV0Z4072921 Keywords : density * excess volume * temperature dependence Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.986, year: 2003

  7. Excess Molar Volumes of (Octane + Benzene, or + Toluene, or + 1,3-Xylene, or 1,3,5-Trimethylbenzene) at Temperatures between (298.15 K and 328.15) K

    Czech Academy of Sciences Publication Activity Database

    Morávková, Lenka; Linek, Jan

    2008-01-01

    Roč. 40, č. 4 (2008), s. 671-676 ISSN 0021-9614 R&D Projects: GA ČR(CZ) GA104/06/0656 Institutional research plan: CEZ:AV0Z40720504 Keywords : octane * benzene * excess volume Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.876, year: 2008

  8. 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.

  9. 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.

  10. 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

  11. 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 .

  12. 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.

  13. 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}.

  14. Excess Molar Volume, Viscosity and Heat Capacity for the Mixture of 1,2-Propanediol-Water at Different Temperatures%1,2-丙二醇水溶液在不同温度下的超额摩尔体积黏度和热容

    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 temperatures 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 investigated. 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 absolute 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.

  15. 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.

  16. 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.

  17. 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.

  18. Efficient solution of 3D electromagnetic eddy-current problems within the finite volume framework of OpenFOAM

    Science.gov (United States)

    Beckstein, Pascal; Galindo, Vladimir; Vukčević, Vuko

    2017-09-01

    Eddy-current problems occur in a wide range of industrial and metallurgical applications where conducting material is processed inductively. Motivated by realising coupled multi-physics simulations, we present a new method for the solution of such problems in the finite volume framework of foam-extend, an extended version of the very popular OpenFOAM software. The numerical procedure involves a semi-coupled multi-mesh approach to solve Maxwell's equations for non-magnetic materials by means of the Coulomb gauged magnetic vector potential A and the electric scalar potential ϕ. The concept is further extended on the basis of the impressed and reduced magnetic vector potential and its usage in accordance with Biot-Savart's law to achieve a very efficient overall modelling even for complex three-dimensional geometries. Moreover, we present a special discretisation scheme to account for possible discontinuities in the electrical conductivity. To complement our numerical method, an extensive validation is completing the paper, which provides insight into the behaviour and the potential of our approach.

  19. 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.

  20. 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

  1. 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.

  2. 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.

  3. 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...

  4. Effects of intravenous administration of two volumes of calcium solution on plasma ionized calcium concentration and recovery from naturally occurring hypocalcemia in lactating dairy cows.

    NARCIS (Netherlands)

    Doze, J.G.; Donders, R.; Kolk, J.H. van der

    2008-01-01

    OBJECTIVE: To compare the effects of administration of 2 volumes of a calcium solution (calcium oxide and calcium gluconate) on plasma ionized calcium concentration (PICaC) and clinical recovery from naturally occurring hypocalcemia (NOHC; milk fever) in lactating dairy cows. ANIMALS: 123 cows with

  5. MODIFIED N.R.C. VERSION OF THE U.S.G.S. SOLUTE TRANSPORT MODEL. VOLUME 2. INTERACTIVE PREPROCESSOR PROGRAM

    Science.gov (United States)

    The methods described in the report can be used with the modified N.R.C. version of the U.S.G.S. Solute Transport Model to predict the concentration of chemical parameters in a contaminant plume. The two volume report contains program documentation and user's manual. The program ...

  6. 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.

  7. 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.

  8. 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.

  9. 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 ...

  10. 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)

  11. 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.

  12. 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.

  13. 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.

  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. Effects of Hypertonic Saline Solution on Clinical Parameters, Serum Electrolytes and Plasma Volume in the Treatment of Haemorrhagic Septicaemia in Buffaloes

    Directory of Open Access Journals (Sweden)

    M. Arif Zafar*, G. Muhammad, Zafar Iqbal1 and M. Riaz2

    2010-04-01

    Full Text Available This study was conducted to determine the efficacy of hypertonic saline solution (HSS along with antibiotic (ceftiofur HCl and non-steroidal anti-inflammatory drug (ketoprofen in the treatment of haemorrhagic septicaemia in buffaloes. For this purpose, 50 buffaloes suffering from haemorrhagic septicaemia were randomly divided in two equal groups A and B. Group A served as control and was treated with ceftiofur HCl (IM and ketoprofen (IV @ 6 and 2 mg/Kg BW, respectively, for five days. Buffaloes of group B were administered with rapid intravenous infusion of hypertonic saline solution (7.5% NaCl @ 4 ml/Kg BW once in combination with ceftiofur HCl and ketoprofen. Animals were monitored for 24 hours after initiation of treatment. Clinical parameters, serum electrolytes, plasma volume and survival index were recorded at different intervals after treatment. Survival rate (80% in group B was significantly higher (P<0.05 than 48% in group A. The heart rate and respiration rate recovered more effectively in the buffaloes administered with treatment protocol B. Plasma volume was 98% which was almost normal within 24 hours after the infusion of hypertonic saline solution to the animals of group B. It was concluded from the study that hypertonic saline solution as an adjunct to antibiotic and a non-steroidal anti-inflammatory drug more efficiently improved respiration and heart rates and effectively restored plasma volume in resuscitating the buffaloes from haemorrhagic septicaemia than the conventional treatment.

  16. 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

  17. 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.

  18. 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

  19. 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.

  20. Acid-base and electrolyte status during normovolemic hemodilution with succinylated gelatin or HES-containing volume replacement solutions in rats.

    Directory of Open Access Journals (Sweden)

    Johanna K Teloh

    Full Text Available BACKGROUND: In the past, several studies have compared different colloidal replacement solutions, whereby the focus was usually on the respective colloid. We therefore systematically studied the influence of the carrier solution's composition of five approved colloidal volume replacement solutions (Gelafundin, Gelafusal, Geloplasma, Voluven and Volulyte on acid-base as well as electrolyte status during and following acute severe normovolemic hemodilution. The solutions differed in the colloid used (succinylated gelatin vs. HES and in the presence and concentration of metabolizable anions as well as in their electrolyte composition. METHODS: Anesthetized Wistar rats were subjected to a stepwise normovolemic hemodilution with one of the solutions until a final hematocrit of 10%. Subsequent to dilution (162 min, animals were observed for an additional period (150 min. During dilution and observation time blood gas analyses were performed eight times in total. Additionally, in the Voluven and Volulyte groups as well as in 6 Gelafundin animals, electrolyte concentrations, glucose, pH and succinylated gelatin were measured in urine and histopathological evaluation of the kidney was performed. RESULTS: All animals survived without any indications of injury. Although the employed solutions differed in their respective composition, comparable results in all plasma acid-base and electrolyte parameters studied were obtained. Plasma pH increased from approximately 7.28 to 7.39, the plasma K(+ concentration decreased from circa 5.20 mM to 4.80-3.90 mM and the plasma Cl(- concentration rose from approximately 105 mM to 111-120 mM. Urinary analysis revealed increased excretion of K(+, H(+ and Cl(-. CONCLUSIONS: The present data suggest that the carrier solution's composition with regard to metabolizable anions as well as K(+, Ca(2+ only has a minor impact on acid-base and electrolyte status after application of succinylated gelatin or HES-containing colloidal

  1. 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

  2. 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

  3. 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

  4. Use of a new tandem cation/anion exchange system with clinical-scale generators provides high specific volume solutions of technetium-99m and rhenium-188

    International Nuclear Information System (INIS)

    Knapp, F.R. Jr.; Beets, A.L.; Mirzadeh, S.; Guhlke, S.; Univ. of Bonn

    1998-03-01

    In this paper the authors describe the first application of a simple and inexpensive post elution tandem cation-anion exchange column system which is based on generator elution with salts of weak acids such as ammonium acetate instead of saline solution to provide very high specific volume solutions of technetium-99m and rhenium-188 from clinical scale molybdenum-99/technetium-99m generator prepared from low specific activity (n,y) molybdenum-99, and tungsten-188/rhenium-188 generators, respectively. Initial passage of the bolus through a strong cation exchange cartridge converts the ammonium acetate to acetic acid which is essentially not ionized at the acidic pH, allowing specific subsequent amine type (QMA SepPak trademark) anion exchange cartridge column trapping of the microscopic levels of the pertechnetate or perrhenate. Subsequent elution of the anion cartridge with a small volume ( 500 mCi/mL) from the alumina-based tungsten-188/rhenium-188 generator

  5. 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.

  6. [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.

  7. Determination of the constants of the solubility product of Ln(OH)3 and the effect of the chloride ions on the lanthanum hydrolysis, praseodymium and lutetium in aqueous solutions of ion force 2 Molar

    International Nuclear Information System (INIS)

    Lopez G, H.D.

    2005-01-01

    The behavior of lanthanum (III), praseodymium (III), and lutetium (III) was studied in 2 M NaClO 4 (aq) and 2 M NaCl (aq) at 303 K and free -CO 2 conditions. Solubility diagrams (p Ln(aq)-pC H ) were obtained by means of a radiochemical method. The pC H borderlines of saturation and unsaturation zones of the solutions and solubility product constants for Ln(OH) 3 were determined from these diagrams. The fitting of the solubility equation to the experimental values of p Ln(aq)-pC H diagrams allowed the calculation of the first hydrolysis and solubility product constants. Independently, the stability constants for the first species of hydrolysis were determined by means of pH titrations, the data were treated with the program SUPERQUAD and fitted to the mean ligand number equation. The stability constants for the species LnCl 2+ were as well calculated in 2M ionic strength and 303 K from the hydrolysis constant values obtained in both perchlorate and chloride media. The values obtained for La, Pr and Lu were: logK ps : 21.11 ± 0.09, 19.81 ± 0.11 and 18.10 ± 0.13 in 2M NaClO 4 ; logK ps : 22.22 ± 0.09, 21.45 ± 0.14 and 18.52 ± 0.29 in 2M NaCl; log β 1 : - 8.64 ± 0.02, - 8.37 ± 0.01 and - 7.95 ± 0.11 in 2M NaClO 4 ; log β 1 / : - 9.02 ± 0.11, - 8.75 ± 0.01 and - 8.12 ± 0.03 in 2M NaCl and the values for log β 1,Cl were - 0.0255, - 0.155 and - 0.758, respectively. (Author)

  8. 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

  9. 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.

  10. Treating Intraradicular Pockets of molars

    Directory of Open Access Journals (Sweden)

    H. Lotfizade

    1987-10-01

    Full Text Available It appears that until bone graft has not achieved 100% success, intraradicular diseases remain controversial and therefore, different treatment plans are suggested for them. Treating intraradicular diseases depend on many factors: maxillary molars are more prone to bone loss and have worse prognosis. To assess prognosis more carefully these factors should be considered: 1 bone loss: its apical depth, local or generalized 2 bone condition: buccal, lingual, mesial and distal aspects 3 tooth mobility: grades 2 and 3 have not good prognosis. Crown root ratio is also important. 4 the angle of divergence of roots: the more the roots are divergent, the better the prognosis would be. 5adjacent teeth health 6tooth position in jaws 7 age and general health of the patients 8 oral hygiene In general, teeth with 2 roots can be treated more effectively than 3 root ones. Maxillary first premolars are exceptions that do not respond to the treatments positively. We should look forward to the future investigations and findings.

  11. 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.

  12. 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

  13. Rare occurrence of the left maxillary horizontal third molar impaction ...

    African Journals Online (AJOL)

    Rare occurrence of the left maxillary horizontal third molar impaction, the right maxillary third molar vertical impaction and the left mandibular third molar vertical impaction with inferior alveolar nerve proximity in a 30 year old female: a case report.

  14. Solution of the square lid-driven cavity flow of a Bingham plastic using the finite volume method

    OpenAIRE

    Syrakos, Alexandros; Georgiou, Georgios C.; Alexandrou, Andreas N.

    2016-01-01

    We investigate the performance of the finite volume method in solving viscoplastic flows. The creeping square lid-driven cavity flow of a Bingham plastic is chosen as the test case and the constitutive equation is regularised as proposed by Papanastasiou [J. Rheol. 31 (1987) 385-404]. It is shown that the convergence rate of the standard SIMPLE pressure-correction algorithm, which is used to solve the algebraic equation system that is produced by the finite volume discretisation, severely det...

  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. 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.

  17. Effects of large volume injection of aliphatic alcohols as sample diluents on the retention of low hydrophobic solutes in reversed-phase liquid chromatography.

    Science.gov (United States)

    David, Victor; Galaon, Toma; Aboul-Enein, Hassan Y

    2014-01-03

    Recent studies showed that injection of large volume of hydrophobic solvents used as sample diluents could be applied in reversed-phase liquid chromatography (RP-LC). This study reports a systematic research focused on the influence of a series of aliphatic alcohols (from methanol to 1-octanol) on the retention process in RP-LC, when large volumes of sample are injected on the column. Several model analytes with low hydrophobic character were studied by RP-LC process, for mobile phases containing methanol or acetonitrile as organic modifiers in different proportions with aqueous component. It was found that starting with 1-butanol, the aliphatic alcohols can be used as sample solvents and they can be injected in high volumes, but they may influence the retention factor and peak shape of the dissolved solutes. The dependence of the retention factor of the studied analytes on the injection volume of these alcohols is linear, with a decrease of its value as the sample volume is increased. The retention process in case of injecting up to 200μL of upper alcohols is dependent also on the content of the organic modifier (methanol or acetonitrile) in mobile phase. Copyright © 2013 Elsevier B.V. All rights reserved.

  18. 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.

  19. 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.

  20. 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.

  1. 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

  2. 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.

  3. 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.

  4. (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

  5. 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.

  6. COBRA-SFS [Spent Fuel Storage]: A thermal-hydraulic analysis computer code: Volume 1, Mathematical models and solution method

    International Nuclear Information System (INIS)

    Rector, D.R.; Wheeler, C.L.; Lombardo, N.J.

    1986-11-01

    COBRA-SFS (Spent Fuel Storage) is a general thermal-hydraulic analysis computer code used to predict temperatures and velocities in a wide variety of systems. The code was refined and specialized for spent fuel storage system analyses for the US Department of Energy's Commercial Spent Fuel Management Program. The finite-volume equations governing mass, momentum, and energy conservation are written for an incompressible, single-phase fluid. The flow equations model a wide range of conditions including natural circulation. The energy equations include the effects of solid and fluid conduction, natural convection, and thermal radiation. The COBRA-SFS code is structured to perform both steady-state and transient calculations: however, the transient capability has not yet been validated. This volume describes the finite-volume equations and the method used to solve these equations. It is directed toward the user who is interested in gaining a more complete understanding of these methods

  7. Endodontic therapy for a fused mandibular molar.

    Science.gov (United States)

    Rotstein, I; Moshonov, J; Cohenca, N

    1997-06-01

    Variations in tooth morphology present a clinical challenge when endodontic treatment is required. A case of conservative endodontic therapy for a fused mandibular second and third molar is presented.

  8. 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.

  9. 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)

  10. Excess molar volumes and viscosities of binary mixtures of some ...

    Indian Academy of Sciences (India)

    Unknown

    ... H T S, Aralaguppi M I and. Hansen K C 1994 J. Chem. Eng. Data 39 251. 43. Pal A and Kumar H 2001 Fluid Phase Equilibria 181 17. 44. Reed T M III and Taylor T E 1959 J. Phys. Chem. 63 58. 45. Meyer R, Meyer J, Metzer J and Peneloux A 1971 J. Chim. Phys. 68 406. 46. Palepu R, Oliver J and Mackinnon B 1985 Can.

  11. Densities and Excess Molar Volume for the Ternary Systems (1 ...

    African Journals Online (AJOL)

    NICO

    2012-09-10

    Sep 10, 2012 ... studied as 'green solvents' for organic reactions, combined with a catalyst to ... The physical properties of ILs such as density, viscosity, melting point, polarity and ... wide electrochemical window, high recyclability, good ionic.

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

    African Journals Online (AJOL)

    Preferred Customer

    type polynomial equation to derive the binary coefficients and estimate the standard ... prepared for each system, and their densities and absolute viscosities were .... divided arbitrarily into three types, namely, chemical, physical, and structural.

  13. Solution phase thermodynamics of strong electrolytes based on ionic concentrations, hydration numbers and volumes of dissolved entities

    Czech Academy of Sciences Publication Activity Database

    Heyrovská, Raji

    2013-01-01

    Roč. 24, č. 6 (2013), s. 1895-1901 ISSN 1040-0400 Institutional support: RVO:68081707 Keywords : Solution thermodynamics * Aqueous electrolytes * Partial electrolytic dissociation Subject RIV: BO - Biophysics Impact factor: 1.900, year: 2013

  14. Management of large losses of substances molars

    OpenAIRE

    Reynal, Florence

    2016-01-01

    This work aims to compare the different coronary restorative materials used for large tooth losses in primary molars. The first part of this thesis is dedicated to a description of the four main materials used in coronary restorations of molars : amalgam, glass-ionomer cements, resin-based composite and pedodontic crown. The second part is a systematic review of the literature. The aim is to compare the long-term survival rates of different restoration techniques, in order to help the practit...

  15. Microstructure of a tribosphenic molar - comparative analysis

    OpenAIRE

    ŠPOUTIL, František

    2010-01-01

    The proposed thesis concerns in the study of tribosphenic molar, the key apomorphy of mammalian clade, mainly in structure and development of its enamel coat. As the main model species served us European vespertilionid bat Myotis myotis. The aims of this thesis are: (1) to describe structure and microstructure of enamel in tribosphenic molars in detail; (2) to compare it with unicuspid teeth of the same dentition; (3) to describe mineralization process and enamel maturation in insectivorous d...

  16. 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

  17. 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.

  18. An analytic solution for calculating the beam intensity profiles useful to irradiate target volumes with bi-concave outlines

    Energy Technology Data Exchange (ETDEWEB)

    De Neve, W; Derycke, S; De Wagter, C [Ghent Rijksuniversiteit (Belgium). Kliniek voor Radiotherapie en Kerngeneeskunde

    1995-12-01

    A heuristic planing procedure allowing to obtain a 3-dimensional conformal dose distribution in radiotherapy for target volumes with a bi-concave or multi-concave shape has been developed. The described method is tested on a phantom simulating a pelvic target, described by Brahme.

  19. Ion diode simulation with a finite-volume PIC approach for the numerical solution of the Maxwell-Lorentz system

    Energy Technology Data Exchange (ETDEWEB)

    Munz, C D; Schneider, R; Stein, E; Voss, U [Forschungszentrum Karlsruhe (Germany). Institut fuer Neutronenphysik und Reaktortechnik; Westermann, T [FH Karlsruhe (Germany). Fachbereich Naturwissenschaften; Krauss, M [Forschungszentrum Karlsruhe (Germany). Hauptabteilung Informations- und Kommunikationstechik

    1997-12-31

    The numerical concept realized in the the Karlsruhe Diode Code KADI2D is briefly reviewed. Several new aspects concerning the Maxwell field solver based on high resolution finite-volume methods are presented. A new approach maintaining charge conservation numerically for the Maxwell-Lorentz equations is shortly summarized. (author). 2 figs., 12 refs.

  20. Ion diode simulation with a finite-volume PIC approach for the numerical solution of the Maxwell-Lorentz system

    International Nuclear Information System (INIS)

    Munz, C.D.; Schneider, R.; Stein, E.; Voss, U.; Westermann, T.; Krauss, M.

    1996-01-01

    The numerical concept realized in the the Karlsruhe Diode Code KADI2D is briefly reviewed. Several new aspects concerning the Maxwell field solver based on high resolution finite-volume methods are presented. A new approach maintaining charge conservation numerically for the Maxwell-Lorentz equations is shortly summarized. (author). 2 figs., 12 refs

  1. 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

  2. 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.

  3. Influence of anodization parameters on the volume expansion of anodic aluminum oxide formed in mixed solution of phosphoric and oxalic acids

    Science.gov (United States)

    Kao, Tzung-Ta; Chang, Yao-Chung

    2014-01-01

    The growth of anodic alumina oxide was conducted in the mixed solution of phosphoric and oxalic acids. The influence of anodizing voltage, electrolyte temperature, and concentration of phosphoric and oxalic acids on the volume expansion of anodic aluminum oxide has been investigated. Either anodizing parameter is chosen to its full extent of range that allows the anodization process to be conducted without electric breakdown and to explore the highest possible volume expansion factor. The volume expansion factors were found to vary between 1.25 and 1.9 depending on the anodizing parameters. The variation is explained in connection with electric field, ion transport number, temperature effect, concentration, and activity of acids. The formation of anodic porous alumina at anodizing voltage 160 V in 1.1 M phosphoric acid mixed with 0.14 M oxalic acid at 2 °C showed the peak volume expansion factor of 1.9 and the corresponding moderate growth rate of 168 nm/min.

  4. Potentiometric titration in a low volume of solution for rapid assay of uranium. Application to quantitative electro-reduction of uranium(VI)

    International Nuclear Information System (INIS)

    Sahoo, P.; Ananthanarayanan, R.; Murali, N.; Mallika, C.; Falix Lawrence; Kamachi Mudali, U.

    2012-01-01

    A simple, inexpensive PC based potentiometric titration technique for the assay of uranium using low volumes of sample aliquot (25-100 μL) along with all reagents (total volume of solution being less than 2.5 mL) is presented. The technique involves modification of the well known Davies and Gray Method recommended for assay of uranium(VI) in nuclear materials by introducing an innovative potentiometric titration device with a mini cell developed in-house. After appropriate chemical conditioning the titration is completed within a couple of minutes with display of online titration plot showing the progress of titration. The first derivative plot generated immediately after titration provides information of end point. The main advantage of using this technique is to carry out titration with minimum volumes of sample and reagents generating minimum volume of wastes after titration. The validity of the technique was evaluated using standard certified samples. This technique was applied for assay of uranium in a typical sample collected from fuel reprocessing laboratory. Further, the present technique was deployed in investigating the optimum conditions for efficient in situ production of U(IV). The precision in the estimation of uranium is highly satisfactory (RSD less than 1.0%). (author)

  5. 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.

  6. 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

  7. 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

  8. 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.

  9. 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.

  10. 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.

  11. 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)

  12. (Liquid plus liquid) equilibria of binary polymer solutions using a free-volume UNIQUAC-NRF model

    DEFF Research Database (Denmark)

    Radfarnia, H.R.; Ghotbi, C.; Taghikhani, V.

    2006-01-01

    + liquid) equilibria (LLE) for a number of binary polymer solutions at various temperatures. The values for the binary characteristic energy parameters for the proposed model and the FV-UNIQUAC model along with their average relative deviations from the experimental data were reported. It should be stated...

  13. 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.

  14. 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

  15. 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.

  16. Reposição de volume na sepse com solução salina hipertônica Sepsis volume reposition with hypertonic saline solution

    Directory of Open Access Journals (Sweden)

    Gilberto Friedman

    2008-09-01

    Full Text Available Esta revisão discute os efeitos hemodinâmicos e imunomoduladores da solução hipertônica em choque experimental e em pacientes com sepse. Comentamos sobre os mecanismos de ação da solução hipertônica, recorrendo a dados sobre choque hemorrágico e séptico. Atuações específicas da solução salina hipertônica aplicáveis a sepse grave e choque séptico são enfatizadas. Os dados disponíveis corroboram os benefícios em potencial da infusão de solução salina hipertônica em vários aspetos da fisiopatologia da sepse, inclusive hipoperfusão dos tecidos, consumo reduzido de oxigênio, disfunção endotelial, depressão miocárdica e presença de um amplo elenco de citocinas próinflamatórias e várias espécies de oxidantes. Uma terapia que, ao mesmo tempo, bloqueie os componentes prejudiciais da sepse terá um impacto no seu tratamento. Estudos prospectivos adequadamente desenhados poderão no futuro comprovar o papel benéfico da solução salina hipertônica.The present review discusses the hemodynamic and immune-modulatory effects of hypertonic saline in experimental shock and in patients with sepsis. We comment on the mechanisms of action of hypertonic saline, calling upon data in hemorrhagic and septic shock. Specific actions of hypertonic saline applicable to severe sepsis and septic shock are highlighted. Data available support potential benefits of hypertonic saline infusion in various aspects of the pathophysiology of sepsis, including tissue hypoperfusion, decreased oxygen consumption, endothelial dysfunction, cardiac depression, and the presence of a broad array of pro-inflammatory cytokines and various oxidant species. A therapy that simultaneously blocks the damaging components of sepsis will have an impact on the management of sepsis. Proper designed prospective studies may prove a beneficial role for hypertonic saline solution in the future.

  17. 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

  18. 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.

  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. 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.

  1. Use of new tandem cation/anion exchange system with clinical-scale generators provides high specific volume solutions of technetium-99m and rhenium-188

    International Nuclear Information System (INIS)

    Knapp, F.F. Jr.; Beets, A.L.; Mirzadeh, S.; Guhlke, S.

    1998-01-01

    In this paper we describe the first application of our simple and inexpensive post-elution tandem cation/anion exchange column system which is based on generator elution with salts of weak acids such as ammonium acetate instead of saline solution to provide very high specific volume solutions of technetium-99m and rhenium-188 from clinical-scale molybdenum-99/technetium-99m generator prepared from low specific activity (n,y) molybdenum-99, and tungsten-188/rhenium-188 generators, respectively. Initial passage of the bolus through a strong cation exchange cartridge converts the ammonium acetate to acetic acid which is essentially not ionized at the acidic pH, allowing specific subsequent amine-type (QMA SepPak TM ) anion exchange cartridge column trapping of the microscopic levels of the pertechnetate or perrhenate. Subsequent elution of the anion cartridge with a small volume ( 500 mCi/mL) from the alumina-based tungsten-188/rhenium-188 generator. (author)

  2. Volume measurement system for plutonium nitrate solution and its uncertainty to be used for nuclear materials accountancy proved by demonstration over fifteen years

    International Nuclear Information System (INIS)

    Hosoma, Takashi

    2010-10-01

    An accurate volume measurement system for plutonium nitrate solution stored in an accountability tank with dip-tubes has been developed and demonstrated over fifteen years at the Plutonium Conversion Development Facility of the Japan Atomic Energy Agency. As a result of calibrations during the demonstration, it was proved that measurement uncertainty practically achieved and maintained was less than 0.1% (systematic character) and 0.15% (random) as one sigma which was half of the current target uncertainty admitted internationally. It was also proved that discrepancy between measured density and analytically determined density was less than 0.002 g·cm -3 as one sigma. These uncertainties include effects by long term use of the accountability tank where cumulative plutonium throughput is six tons. The system consists of high precision differential pressure transducers and a dead-weight tester, sequentially controlled valves for periodical zero adjustment, dampers to reduce pressure oscillation and a procedure to correct measurement biases. The sequence was also useful to carry out maintenances safely without contamination. Longevity of the transducer was longer than 15 years. Principles and essentials to determine solution volume and weight of plutonium, measurement biases and corrections, accurate pressure measurement system, maintenances and diagnostics, operational experiences, evaluation of measurement uncertainty are described. (author)

  3. Development and Application of a Low-Volume Flow System for Solution-State in Vivo NMR.

    Science.gov (United States)

    Tabatabaei Anaraki, Maryam; Dutta Majumdar, Rudraksha; Wagner, Nicole; Soong, Ronald; Kovacevic, Vera; Reiner, Eric J; Bhavsar, Satyendra P; Ortiz Almirall, Xavier; Lane, Daniel; Simpson, Myrna J; Heumann, Hermann; Schmidt, Sebastian; Simpson, André J

    2018-06-18

    In vivo nuclear magnetic resonance (NMR) spectroscopy is a particularly powerful technique, since it allows samples to be analyzed in their natural, unaltered state, criteria paramount for living organisms. In this study, a novel continuous low-volume flow system, suitable for in vivo NMR metabolomics studies, is demonstrated. The system allows improved locking, shimming, and water suppression, as well as allowing the use of trace amounts of expensive toxic contaminants or low volumes of precious natural environmental samples as stressors. The use of a double pump design with a sump slurry pump return allows algal food suspensions to be continually supplied without the need for filters, eliminating the possibility of clogging and leaks. Using the flow system, the living organism can be kept alive without stress indefinitely. To evaluate the feasibility and applicability of the flow system, changes in the metabolite profile of 13 C enriched Daphnia magna over a 24-h period are compared when feeding laboratory food vs exposing them to a natural algal bloom sample. Clear metabolic changes are observed over a range of metabolites including carbohydrates, lipids, amino acids, and a nucleotide demonstrating in vivo NMR as a powerful tool to monitor environmental stress. The particular bloom used here was low in microcystins, and the metabolic stress impacts are consistent with the bloom being a poor food source forcing the Daphnia to utilize their own energy reserves.

  4. Tsunami waves generated by submarine landslides of variable volume: analytical solutions for a basin of variable depth

    Directory of Open Access Journals (Sweden)

    I. Didenkulova

    2010-11-01

    Full Text Available Tsunami wave generation by submarine landslides of a variable volume in a basin of variable depth is studied within the shallow-water theory. The problem of landslide induced tsunami wave generation and propagation is studied analytically for two specific convex bottom profiles (h ~ x4/3 and h ~ x4. In these cases the basic equations can be reduced to the constant-coefficient wave equation with the forcing determined by the landslide motion. For certain conditions on the landslide characteristics (speed and volume per unit cross-section the wave field can be described explicitly. It is represented by one forced wave propagating with the speed of the landslide and following its offshore direction, and two free waves propagating in opposite directions with the wave celerity. For the case of a near-resonant motion of the landslide along the power bottom profile h ~ xγ the dynamics of the waves propagating offshore is studied using the asymptotic approach. If the landslide is moving in the fully resonant regime the explicit formula for the amplitude of the wave can be derived. It is demonstrated that generally tsunami wave amplitude varies non-monotonically with distance.

  5. 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.

  6. 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.

  7. 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.

  8. 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...

  9. MULTEQ: Equilibrium of an electrolytic solution with vapor-liquid partitioning and precipitation: Volume 1: User's manual, Revision 1

    International Nuclear Information System (INIS)

    Alexander, J.H.; Luu, L.

    1989-05-01

    A major problem in the operation of PWR steam generators is corrosion in heated crevices. Estimating the pH of the boiler water as it becomes more and more concentrated in the crevice environments is an important tool to use in preventing corrosion. Measuring the pH of a sample in this harsh environment is difficult under the best of circumstances and, at present, not possible in steam generators. The MULTEQ computer code provides a method for calculating estimates of the changing pH of an electrolytic solution as it is subjected to the process of concentration that takes place in crevices. The MULTEQ computer code runs on an IBM PC. It was designed with the idea of making it as easy to use as possible. The user is prompted to key in the concentrations of the primary constituents that occur in the boiler water whose pH he wishes to estimate and the temperature at which the concentration process is to take place. The code then scans its thermochemical data base from which it extracts all the data that it has pertaining to species that would occur in a solution containing the input consituents. The user has a choice of three models for the concentration process, and is provided with tools for displaying the results of the calculation either in tabular or in graphical form

  10. Finite Volume Scheme for Double Convection-Diffusion Exchange of Solutes in Bicarbonate High-Flux Hollow-Fiber Dialyzer Therapy

    Directory of Open Access Journals (Sweden)

    Kodwo Annan

    2012-01-01

    Full Text Available The efficiency of a high-flux dialyzer in terms of buffering and toxic solute removal largely depends on the ability to use convection-diffusion mechanism inside the membrane. A two-dimensional transient convection-diffusion model coupled with acid-base correction term was developed. A finite volume technique was used to discretize the model and to numerically simulate it using MATLAB software tool. We observed that small solute concentration gradients peaked and were large enough to activate solute diffusion process in the membrane. While CO2 concentration gradients diminished from their maxima and shifted toward the end of the membrane, concentration gradients peaked at the same position. Also, CO2 concentration decreased rapidly within the first 47 minutes while optimal concentration was achieved within 30 minutes of the therapy. Abnormally high diffusion fluxes were observed near the blood-membrane interface that increased diffusion driving force and enhanced the overall diffusive process. While convective flux dominated total flux during the dialysis session, there was a continuous interference between convection and diffusion fluxes that call for the need to seek minimal interference between these two mechanisms. This is critical for the effective design and operation of high-flux dialyzers.

  11. [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.

  12. External and internal anatomy of mandibular molars.

    Science.gov (United States)

    Rocha, L F; Sousa Neto, M D; Fidel, S R; da Costa, W F; Pécora, J D

    1996-01-01

    The external and internal anatomy of 628 extracted, mandibular first and second molars was studied. The external anatomy was studied by measuring each tooth and by observing the direction of the root curvatures from the facial surface. The internal anatomy of the pulp cavity was studied by a method of making the teeth translucent.

  13. 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.

  14. Effect of Intravenous Small-Volume Hypertonic Sodium Bicarbonate, Sodium Chloride, and Glucose Solutions in Decreasing Plasma Potassium Concentration in Hyperkalemic Neonatal Calves with Diarrhea.

    Science.gov (United States)

    Trefz, F M; Constable, P D; Lorenz, I

    2017-05-01

    Hyperkalemia is a frequently observed electrolyte imbalance in dehydrated neonatal diarrheic calves that can result in skeletal muscle weakness and life-threatening cardiac conduction abnormalities and arrhythmias. Intravenous administration of a small-volume hypertonic NaHCO 3 solution is clinically more effective in decreasing the plasma potassium concentration (cK) in hyperkalemic diarrheic calves than hypertonic NaCl or glucose solutions. Twenty-two neonatal diarrheic calves with cK >5.8 mmol/L. Prospective randomized clinical trial. Calves randomly received either 8.4% NaHCO 3 (6.4 mL/kg BW; n = 7), 7.5% NaCl (5 mL/kg BW; n = 8), or 46.2% glucose (5 mL/kg BW; n = 7) IV over 5 minutes and were subsequently allowed to suckle 2 L of an electrolyte solution. Infusions with NaHCO 3 and NaCl provided an identical sodium load of 6.4 mmol/kg BW. Hypertonic NaHCO 3 infusions produced an immediate and sustained decrease in plasma cK. Hypertonic glucose infusions resulted in marked hyperglycemia and hyperinsulinemia, but cK remained unchanged for 20 minutes. Between 30 and 120 minutes after initiation of treatment, the most marked decrements in cK from baseline occurred in group NaHCO 3 , which were significantly (P < .05) larger during this period of time than in calves in group NaCl, but not group glucose. After 120 minutes, the mean decrease in cK from baseline was -26 ± 10%, -9 ± 8%, and -22 ± 6% in groups NaHCO 3 , NaCl, and glucose, respectively. Small-volume hypertonic NaHCO 3 infusions appear to have clinical advantages for the rapid resuscitation of hyperkalemic diarrheic calves, compared to hypertonic NaCl or glucose solutions. Copyright © 2017 The Authors. Journal of Veterinary Internal Medicine published by Wiley Periodicals, Inc. on behalf of the American College of Veterinary Internal Medicine.

  15. 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.

  16. 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

  17. 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.

  18. 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

  19. 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.

  20. 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.