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.

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

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.

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.

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.

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

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

Institute of Scientific and Technical Information of China (English)

无

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.

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

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.

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.

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.

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...

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.

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.

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

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

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

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.

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.

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…

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.

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.

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.

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.

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

Institute of Scientific and Technical Information of China (English)

无

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.

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.

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...

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.

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

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

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.

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 ...

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

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

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

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.

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.

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.

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

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

MicroCT study on the enamel mineral density of primary molars

NARCIS (Netherlands)

Elfrink, M.E.C.; Kalin, K.; van Ruijven, L.J.; ten Cate, J.M.; Veerkamp, J.S.J.

2016-01-01

Aim The aim of this study is to report on the mineral density of the enamel of primary molars related to the age of the child and to compare the mineral density of sound and carious enamel in those molars. Materials and methods This study included 23 children and 41 extracted primary molars. The

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.

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

Pressure Dependence of Molar Volume near the Melting Point in Benzene

Institute of Scientific and Technical Information of China (English)

无

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.

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.

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

Institute of Scientific and Technical Information of China (English)

无

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.

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

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.

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

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.

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.

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

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.

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

Densities and volume properties of (water + tert-butanol) over the temperature range of (274.15 to 348.15) K at pressure of 0.1 MPa

International Nuclear Information System (INIS)

Egorov, Gennadiy I.; Makarov, Dmitriy M.

2011-01-01

The densities of {water (1) + tert-butanol (2)} binary mixture were measured over the temperature range (274.15 to 348.15) K at atmospheric pressure using 'Anton Paar' digital vibrating-tube densimeter. Density measurements were carried out over the whole concentration range at (308.15 to 348.15) K. The following volume parameters were calculated: excess molar volumes and thermal isobaric expansivities of the mixture, partial molar volumes and partial molar thermal isobaric expansivities of the components. Concentration dependences of excess molar volumes were fitted with Redlich-Kister equation. The results of partial molar volume calculations using four equations were compared. It was established that for low alcohol concentrations at T ≤ 208 K the inflection points at x 2 ∼ 0.02 were observed at concentration dependences of specific volume. The concentration dependences of partial molar volumes of both water and tert-butanol had extremes at low alcohol content. The temperature dependence of partial molar volumes of water had some inversion at x 2 ∼ 0.65. The temperature dependence of partial molar volumes of tert-butanol at infinite dilution had minimum at ∼288 K. It was discovered that concentration dependences of thermal isobaric expansivities of the mixture at small alcohol content and low temperatures passed through minimum.

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

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

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

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.

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

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

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

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

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.

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

excess molar volumes, and refractive index of binary mixtures

African Journals Online (AJOL)

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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 ...

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.

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

Density of Liquid Ni-Cr Alloy

Institute of Scientific and Technical Information of China (English)

无

2003-01-01

The density of liquid Ni-Cr alloy was measured by a modified sessile drop method. The density of liquid Ni-Cr alloywas found to decrease with increasing temperature and Cr concentration in the alloy. The molar volume of liquidNi-Cr alloy increases with increasing the Cr concentration in the alloy. The molar volume of Ni-Cr alloy determinedin the present work shows a positive deviation from the linear molar volume.

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.

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

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.

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

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.

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

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

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.

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

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 ...

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

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.

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

Calculation of the density of liquid radon

International Nuclear Information System (INIS)

Herreman, W.

1980-01-01

Eleven condensed gases were investigated to relate their critical molar volume Vsub(c) to their molar volume Vsub(o)(Vsub(o) is the molar volume where the fluidity phi = 0). From this relationship the critical density of radon was calculated psub(c) = 1613 kg m -3 . From this principle of corresponding states for viscosity and with this value for psub(c) the density for the saturated liquid state of radon was predicted. (author)

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.

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)

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

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

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.

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.

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.

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

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.

Measurement and analyses of molten Ni-Co alloy density

Institute of Scientific and Technical Information of China (English)

XIAO Feng; K. MUKAI; FANG Liang; FU Ya; YANG Ren-hui

2006-01-01

With the advent of powerful mathematical modeling techniques for material phenomena, there is renewed interest in reliable data for the density of the Ni-based superalloys. Up to now, there has been few report on the density of molten Ni-Co alloy.In order to obtain more accurate density data for molten Ni-Co alloy, the density of molten Ni-Co alloy was measured with a modified sessile drop method, and the accommodation of different atoms in molten Ni-Co alloy was analyzed. The density of alloy is found to decrease with increasing temperature and Co concentration in the alloy. The molar volume of molten Ni-Co alloy increases with increasing Co concentration. The molar volume of Ni-Co alloy determined shows a positive deviation from the linear molar volume, and the deviation of molar volume from ideal mixing increases with increasing Co concentration over the experimental concentration range.

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

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.

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.

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

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

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

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

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.

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.

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

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.

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

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

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

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

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.

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

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.

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).

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

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

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

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.

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

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.

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.

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.

Densities of molten Ni-(Cr, Co, W) superalloys

Institute of Scientific and Technical Information of China (English)

XIAO Feng; YANG Ren-hui; FANG Liang; LIU Lan-xiao; ZHAO Hong-kai

2008-01-01

In order to obtain more accurate density for molten Ni-(Cr, Co, W) binary alloy, the densities of molten pure Ni and Ni-Cr, Ni-Co, Ni-W alloys were measured with a sessile drop method. It is found that the measured densities of molten pure Ni and Ni-Cr, Ni-Co, Ni-W alloys decrease with increasing temperature in the experimental temperature range. The density of alloys increases with increasing W and Co concentrations while it decreases with increasing Cr concentration in the alloy at 1 773-1 873 K. The molar volume of Ni-based alloys increases with increasing W concentration while it decreases with increasing Co concentration. The effect of Cr concentration on the molar volume of the alloy is little in the studied concentration range. The accommodation among atomic species was analyzed. The deviation of molar volume from ideal mixing shows an ideal mixing of Ni-(Cr, Co, W) binary alloys.

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.

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.

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

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.

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.

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.

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

Density of Ni-Al Alloys in Liquid and Solid-Liquid Coexistence State Measured by a Modified Pycnometric Method

Institute of Scientific and Technical Information of China (English)

Liang FANG; Feng XIAO; Zushu LI; Zainan TAO

2004-01-01

The density of Ni-Al alloys in both liquid state and solid-liquid coexistence state was measured with a modified pycnometric method. It was found that the density of NI-Al alloys decreases with increasing temperature and Al concentration in the alloys. The molar volume of liquid Ni-Al binary alloys increases with the increase of temperature and Al concentration. The partial molar volume of Al in NI-Al binary alloy was calculated approximately. The molar volume of liquid NI-Al alloy determined in the present work shows a negative deviation from the ideal linear molar volume.

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.

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.

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

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.

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.

Density of Liquid Ni-Mo Alloys Measured by a Modified Sessile Drop Method

Institute of Scientific and Technical Information of China (English)

Liang FANG; Zushu LI; ZaiNan TAO; Feng XIAO

2004-01-01

The density of liquid binary Ni-Mo alloys with molybdenum concentration from 0 to 20% (mass fraction) was measured by a modified sessile drop method. It has been found that the density of the liquid Ni-Mo alloys decreases with increasing temperature, but increases with the increase of molybdenum concentration in the alloys. The molar volume of liquid Ni-Mo binary alloys increases with the increase of temperature and molybdenum concentration. The partial molar volume of molybdenum in Ni-Mo binary alloy has been approximately calculated as [13.18 - 2.65 × 10-3T + (-47.94 + 3.10 × 10-2T) × 10-2XMo] × 10-6m3·mol-1. The molar volume of Ni-Mo alloy determined in the present work shows a negative deviation from the ideal linear mixing molar volume.

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.

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.

Density, excess properties, electrical conductivity and viscosity of 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide + γ-butyrolactone binary mixtures

International Nuclear Information System (INIS)

Vraneš, Milan; Papović, Snežana; Tot, Aleksandar; Zec, Nebojša; Gadžurić, Slobodan

2014-01-01

Highlights: • Densities of [bmim][NTf 2 ] mixtures with γ-butyrolactone were measured. • Excess properties were calculated. • Nature of interactions between IL and GBL were discussed. • Specific conductivity and viscosity were also measured. • Walden plot is presented. - Abstract: Density, electrical conductivity and viscosity of binary liquid mixtures of 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, [bmim][NTf 2 ], with γ-butyrolactone (GBL) were measured at temperatures from (293.15 to 323.15) K and at atmospheric pressure over the whole composition range. Excess molar volumes have been calculated from the experimental densities and were fitted with Redlich–Kister polynomial equation. Other volumetric properties, such as isobaric thermal expansion coefficients, partial molar volumes, apparent molar volumes and partial molar volumes at infinite dilution have been also calculated, in order to obtain information about interactions between GBL and selected ionic liquid

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.

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.

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.

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%.

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.

Measurement and Analysis of Density of Molten Ni-W Alloys

Institute of Scientific and Technical Information of China (English)

FANG Liang; XIAO Feng; TAO Zainan; MuKai Kusuhiro

2005-01-01

The density of molten Ni-W alloys was measured with a modified pycnometric method. It is found that the density of the molten Ni- W alloys decreases with temperature rising, but increases with the increase of tungsten concentration in the alloys. The molar volume of molten Ni- W binary alloys increases with the increase of temperature and tungsten concentration. The partial molar volume of tungsten in liquid Ni- W binary alloy has been calculated approximately as ( - 1.59+ 5.64 × 10-3 T) × 10-6m3 ·mol-1.

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.

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...

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

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

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

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

Density, thermal expansion and viscosity of cholinium-derived ionic liquids.

Science.gov (United States)

Costa, Anabela J L; Soromenho, Mário R C; Shimizu, Karina; Marrucho, Isabel M; Esperança, José M S S; Lopes, José N Canongia; Rebelo, Luís Paulo N

2012-05-14

Density and viscosity data of the N-alkyl-N,N-dimethyl-N-(2-hydroxyethyl)ammonium bis(trifluoromethylsulfonyl)imide ionic liquids homologous series [N(1 1 n 2(OH))][Ntf(2)] with n=1, 2, 3, 4 and 5 have been measured at atmospheric pressure in the 283density, viscosity and related properties of this family of ionic liquids. A volumetric predictive method based on the effective molar volume of cations and anions is used to estimate the effective molar volume of the different cations present in this study. The results agree with data for other cation families that show a molar volume increment per CH(2) group on the alkyl chain of the cation of about 17.2 cm(3) mol(-1), except for [N(1 1 1 2(OH))](+), which exhibits an outlier behaviour. Molecular dynamics simulation results are used to explain the volumetric behaviour along the homologous series from a molecular perspective. The predictive power of group contribution methods for density and viscosity is also tested. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

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.

Density of liquid NiCrAlMo quarternary alloys measured by a modified sessile drop method

International Nuclear Information System (INIS)

Fang, L.; Wang, Y.F.; Xiao, F.; Tao, Z.N.; MuKai, K.

2006-01-01

The densities of liquid NiCrAlMo quaternary alloys with a fixed molar ratio of Ni:Cr:Al (approximately as 73:14:13) and molybdenum concentration from 0 to 10 mass% were measured by a modified sessile drop method (MSDM). It was found that the density of the liquid NiCrAlMo quaternary alloys decreases with increasing temperature, but increases with the increase of molybdenum concentration. The molar volume of liquid NiCrAlMo quaternary alloys increases with the increase of temperature and molybdenum concentration. The density of liquid NiCrAlMo quaternary alloys calculated from the partial molar volumes of nickel, chromium, aluminum and molybdenum in the corresponding Ni-based binary alloys are in good agreement with the experimental results, means, within the error tolerance range the density of liquid Ni-based multi-component alloys can be predicted from the partial volumes of elements in Ni-based binary alloys in liquid state

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)

Prediction of nanofluids properties: the density and the heat capacity

Science.gov (United States)

Zhelezny, V. P.; Motovoy, I. V.; Ustyuzhanin, E. E.

2017-11-01

The results given in this report show that the additives of Al2O3 nanoparticles lead to increase the density and decrease the heat capacity of isopropanol. Based on the experimental data the excess molar volume and the excess molar heat capacity were calculated. The report suggests new method for predicting the molar volume and molar heat capacity of nanofluids. It is established that the values of the excess thermodynamic functions are determined by the properties and the volume of the structurally oriented layers of the base fluid molecules near the surface of nanoparticles. The heat capacity of the structurally oriented layers of the base fluid is less than the heat capacity of the base fluid for given parameters due to the greater regulation of its structure. It is shown that information on the geometric dimensions of the structured layers of the base fluid near nanoparticles can be obtained from data on the nanofluids density and at ambient temperature - by the dynamic light scattering method. For calculations of the nanofluids heat capacity over a wide range of temperatures a new correlation based on the extended scaling is proposed.

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

Density of liquid NiCoAlCr quarternary alloys measured by modified sessile drop method

Institute of Scientific and Technical Information of China (English)

FANG Liang; ZHANG Shu-fang; XIAO Feng; YANG Ling-chuan; DONG Jian-xin; CAO Chun-lan; TAO Zai-nan; K. MUKAI

2006-01-01

The densities of liquid NiCoAlCr quaternary alloys with a fixed molar ratio of Ni to Co to Al (x(Ni)-x(Co)-x(Al)≈73-12-15) which is close to the average value of the commercial Ni-based superalloys TMS75, INCO713, CM247LC and CMSX-4, and the mass fraction of chromium changes from 0 to 9% were measured by a modified sessile drop method. It is found that with increasing temperature and chromium concentration in the alloys, the densities of the liquid NiCoAlCr quaternary alloys decrease, whereas the molar volume of the liquid NiCoAlCr quaternary alloys increases. And the liquid densities of NiCoAlCr quaternary alloys calculated from the partial molar volumes of nickel, cobalt, aluminum and chromium in the corresponding Ni-bases binary alloys are in good agreement with the experimental ones, i.e. within the error tolerance range the densities of the liquid Ni-based multi-component alloys can be predicted from the partial volumes of elements in Ni-based binary alloys in liquid state. The molar volume of liquid NiCoAlCr binary alloy shows a negative deviation from the ideal linear mixing and the deviation changes small with the increase of chromium concentration at the same temperature.

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.

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)

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

Possible effects of insulin-like growth factor-I, IGF-binding protein-3 and IGF-1/IGFBP-3 molar ratio on mammographic density: a cross-sectional study.

Science.gov (United States)

Meggiorini, M L; Cipolla, V; Borgoni, G; Nofroni, I; Pala, A; de Felice, C

2012-01-01

The purpose of this study was to examine the possible effects of IGF-1, IGFBP-3 and IGF-1/IGFBP-3 molar ratio on mammographic density and assess whether this relationship was similar in subgroups of pre- and postmenopausal women. A group of 341 Italian women of childbearing age or naturally postmenopausal who had performed mammographic examination at the section of radiology of our department a maximum three months prior to recruitment were enrolled. A blood sample was drawn for determination of IGF-1, IGFBP-3 levels and IGF-1/IGFBP-3 molar ratio was calculated. On the basis of recent mammograms the women were divided into two groups: dense breast (DB) and non-dense breast (NDB). To assess the association between mammographic density and IGF-1, IGFBP-3 and Molar ratio Student's t-test was employed before and after stratified by menopausal status. The analysis of the relationship between mammographic density and plasma levels of IGF-1, IGFBP-3 and IGF-1/IGFBP-3 molar ratio showed that IGF-1 levels and molar ratio varied in the two groups resulting in higher mean values in the DB group whereas IGFBP-3 showed similar values in both groups (DB and NDB). After stratification of the study population by menopausal status, no association was found. Our study provides strong evidence of a crude association between breast density, and plasma levels of IGF-1 and molar ratio. IGF-1 and molar ratio might increase mammographic density and thus the risk of developing breast cancer.

Density and surface tension of melts of zirconium and hafnium fluorides with lithium fluoride

International Nuclear Information System (INIS)

Katyshev, S.F.; Artemov, V.V.; Desyatnik, V.N.

1988-01-01

A study was conducted to determine the temperature dependence of the density and surface tension of melts of LiF-ZrF 4 and LiF-HfF 4 . Density and surface tension were determined by the method of maximum pressure in an argon bubble. On the basis of experimental data over the entire concentration range the molar volumes and their relative deviations from the additive molar volumes were calculated for 1100 0 K. The positive deviations of the molar volumes from additivity in the LiF-HfF 4 system (22.45%) were greater than in the LiF-ZrF 4 system (15.75%). This indicated that the reaction with lithium fluoride is intensified with the switch to the hafnium fluoride. Results also demonstrated that the fluorides are surface-active components in the molten mixtures

Densities and excess volumes of binary mixtures of N,N-dimethylformamide with aromatic hydrocarbon at different temperature

International Nuclear Information System (INIS)

Peng Sanjun; Hou Haiyun; Zhou Congshan; Yang Tao

2007-01-01

Density of three binary mixtures formed by N,N-dimethylformamide (DMF) with aromatic hydrocarbon (one of benzene, toluene, and ethylbenzene) has been determined over the full range of compositions at the temperatures range (293.15 to 353.15)K and atmospheric pressure using a vibrating-tube densimeter. From these experiments, excess molar volumes (V m E ) could be calculated and fitted by the fourth-order Redlich-Kister equation, so the coefficients and the standard error (σ) could be got. Our result shows V m E decreases when temperature increases in the studied systems

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.

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.

Volumetric studies to examine the interactions of imidazolium based ionic liquids with water by means of density and speed of sound measurements

International Nuclear Information System (INIS)

Lal, Bhajan; Sahin, Melike; Ayranci, Erol

2012-01-01

Highlights: ► Imidazolium based ionic liquids in water were investigated thermodynamically. ► Densities and speeds of sound were measured for these systems. ► Apparent molar volumes and isentropic compressions were calculated. ► Apparent molar isobaric expansions at infinite dilution were derived. ► The results were interpreted in terms of ionic liquid–water interactions. - Abstract: Densities and speeds of sound for aqueous solutions of ionic liquids having 1-butyl-3-methylimidazolium as cation and chloride, bromide, iodide, acetate, tetrafluoroborate, and trifluoromethanesulfonate as anions were accurately measured at various concentrations and temperatures. The data were used in evaluating thermodynamic properties as apparent molar volumes and apparent molar isentropic compressions. Infinite dilution values of these properties were determined using appropriate extrapolation procedures utilizing Debye–Hückel limiting law for electrolyte solutions. Apparent molar isobaric expansions at infinite dilutions were also evaluated from the temperature dependence of apparent molar volumes. The results were interpreted in terms of ionic liquid–water interactions.

Densities and volumetric properties of binary mixtures of xylene with N,N-dimethylformamide at different temperatures

International Nuclear Information System (INIS)

Chen Bin; Liu Wei

2007-01-01

Densities of binary mixtures of o-xylene, or m-xylene, or p-xylene with N,N-dimethylformamide have been measured over the full range of compositions at atmospheric pressure and various temperatures by means of a vibrating-tube densimeter. The excess molar volume V m E , calculated from the density data, provides the temperature dependence of V m E in the temperature range (293.15 to 353.15)K. The V m E results were correlated using the fourth-order Redlich-Kister polynomial equation, with the maximum likelihood principle being applied for the determination of the adjustable parameters. Partial molar volumes and excess partial molar volumes of two components were also calculated. It was found that the V m E in the systems studied increase with rising temperature

Density, excess volume, and excess coefficient of thermal expansion of the binary systems of dimethyl carbonate with butyl methacrylate, allyl methacrylate, styrene, and vinyl acetate at T = (293.15, 303.15, and 313.15) K

International Nuclear Information System (INIS)

Wisniak, Jaime; Cortez, Gladis; Peralta, Rene D.; Infante, Ramiro; Elizalde, Luis E.; Amaro, Tlaloc A.; Garcia, Omar; Soto, Homero

2008-01-01

Densities of the binary systems of dimethyl carbonate with butyl methacrylate, allyl methacrylate, styrene, and vinyl acetate have been measured as a function of the composition at (293.15, 303.15, and 313.15) K at atmospheric pressure, using an Anton Paar DMA 5000 oscillating U-tube densimeter. The excess molar volumes are negative for the (dimethyl carbonate + vinyl acetate) system and positive for the three other binaries, and become more so as the temperature increases from (293.15 to 313.15) K. The apparent volumes were used to calculate the values of the partial excess molar volumes at infinite dilution. The excess coefficient of thermal expansion is positive for the four binary systems. The calculated excess molar volumes were correlated with the Redlich-Kister equation and with a series of Legendre polynomials. An explanation of the results is offered based on the FT-IR (ATR) spectra of several mixtures of the different systems

Density, excess volume, and excess coefficient of thermal expansion of the binary systems of dimethyl carbonate with butyl methacrylate, allyl methacrylate, styrene, and vinyl acetate at T = (293.15, 303.15, and 313.15) K

Energy Technology Data Exchange (ETDEWEB)

Wisniak, Jaime [Department of Chemical Engineering, Ben-Gurion University of the Negev, Beer-Sheva 84105 (Israel)], E-mail: wisniak@bgumail.bgu.ac.il; Cortez, Gladis; Peralta, Rene D.; Infante, Ramiro; Elizalde, Luis E. [Centro de Investigacion en Quimica Aplicada, Saltillo 25253, Coahuila (Mexico); Amaro, Tlaloc A.; Garcia, Omar; Soto, Homero [Facultad de Ciencias Quimicas, Universidad Autonoma de Coahuila, Saltillo 25280, Coahuila (Mexico)

2008-12-15

Densities of the binary systems of dimethyl carbonate with butyl methacrylate, allyl methacrylate, styrene, and vinyl acetate have been measured as a function of the composition at (293.15, 303.15, and 313.15) K at atmospheric pressure, using an Anton Paar DMA 5000 oscillating U-tube densimeter. The excess molar volumes are negative for the (dimethyl carbonate + vinyl acetate) system and positive for the three other binaries, and become more so as the temperature increases from (293.15 to 313.15) K. The apparent volumes were used to calculate the values of the partial excess molar volumes at infinite dilution. The excess coefficient of thermal expansion is positive for the four binary systems. The calculated excess molar volumes were correlated with the Redlich-Kister equation and with a series of Legendre polynomials. An explanation of the results is offered based on the FT-IR (ATR) spectra of several mixtures of the different systems.

Thermodynamic study of three pharmacologically significant drugs: Density, viscosity, and refractive index measurements at different temperatures

International Nuclear Information System (INIS)

Iqbal, Muhammad Javed; Chaudhry, Mansoora Ahmed

2009-01-01

Measurements of density, viscosity, and refractive index of three pharmacologically significant drugs, i.e. diclofenac sodium, cetrizine, and doxycycline have been carried in aqueous medium at T = (293.15 to 313.15) K. An automated vibrating-tube densimeter, viscometer, and refractometer are used in a concentration range from (7.5) . 10 -3 to 25 . 10 -3 ) mol . kg -1 . The precise density results are used to evaluate the apparent molar volume, partial molar volume, thermal expansion coefficient, partial molar expansivity, and the Hepler's constant. Viscosity results are used to calculate the Jones-Dole viscosity B-coefficient, free energy of activation of the solute and solvent, activation enthalpy, and activation entropy. The molar refractive indices of the drug solutions can be employed to calculate molar refraction. It is inferred from these results that the above mentioned drugs act as structure-making compounds due to hydrophobic hydration of the molecules in the drugs

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

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.

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...

Density, electrical conductivity, viscosity and excess properties of 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide + propylene carbonate binary mixtures

International Nuclear Information System (INIS)

Vraneš, Milan; Zec, Nebojša; Tot, Aleksandar; Papović, Snežana; Dožić, Sanja; Gadžurić, Slobodan

2014-01-01

Highlights: • Densities of [bmim][NTf 2 ] mixtures with propylene carbonate were measured. • Excess properties were calculated. • Formation of hydrogen bonds between IL and PC was discussed. • Electrical conductivity and viscosity were also measured. • Influence of temperature and composition on mixture properties were studied. -- Abstract: Densities of binary liquid mixtures of 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, [bmim][NTf 2 ], with propylene carbonate (PC) were measured at temperatures from (293.15 to 323.15) K and at atmospheric pressure over the whole composition range. The electrical conductivity was measured in the range from (293.15 to 328.15) K. Also, viscosity of [bmim][NTf 2 ] + PC binary mixtures was measured from (298.15 to 333.15) K. Excess molar volumes, V E , have been obtained from the experimental densities and were fitted to Redlich–Kister polynomial equation. Other volumetric properties, such as isobaric thermal expansion coefficients, partial molar volumes, apparent molar volumes and partial molar volumes at infinite dilution have been also calculated, in order to obtain information about interactions between PC and selected ionic liquid. Results are discussed in order to understand the hydrogen bonds formation between components of the mixture

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.

Thermodynamic study of three pharmacologically significant drugs: Density, viscosity, and refractive index measurements at different temperatures

Energy Technology Data Exchange (ETDEWEB)

Iqbal, Muhammad Javed [Department of Chemistry, Quaid-i-Azam University, Islamabad 45320 (Pakistan)], E-mail: mjiqauchem@yahoo.com; Chaudhry, Mansoora Ahmed [Department of Chemistry, Quaid-i-Azam University, Islamabad 45320 (Pakistan)

2009-02-15

Measurements of density, viscosity, and refractive index of three pharmacologically significant drugs, i.e. diclofenac sodium, cetrizine, and doxycycline have been carried in aqueous medium at T = (293.15 to 313.15) K. An automated vibrating-tube densimeter, viscometer, and refractometer are used in a concentration range from (7.5) . 10{sup -3} to 25 . 10{sup -3}) mol . kg{sup -1}. The precise density results are used to evaluate the apparent molar volume, partial molar volume, thermal expansion coefficient, partial molar expansivity, and the Hepler's constant. Viscosity results are used to calculate the Jones-Dole viscosity B-coefficient, free energy of activation of the solute and solvent, activation enthalpy, and activation entropy. The molar refractive indices of the drug solutions can be employed to calculate molar refraction. It is inferred from these results that the above mentioned drugs act as structure-making compounds due to hydrophobic hydration of the molecules in the drugs.

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...

Densities and volumetric properties of a (xylene + dimethyl sulfoxide) at temperature from (293.15 to 353.15) K

International Nuclear Information System (INIS)

Wang Haijun; Liu Wei; Huang Jihou

2004-01-01

The densities of (o-xylene, or m-xylene, or p-xylene + dimethyl sulfoxide) were measured at temperatures (293.15, 303.15, 313.15, 323.15, 333.15, 343.15, 353.15) K and atmospheric pressure by means of a vibrating-tube densimeter. The excess molar volume V m E calculated from the density data provide the temperature dependence of V m E in the temperature range of (293.15 to 353.15) K. The V m E results were correlated using the fourth-order Redlich-Kister equation, with the maximum likelihood principle being applied for the determination of the adjustable parameters. Also we have calculated partial molar volume and excess partial molar volumes of two components. It was found that the V m E in the systems studied increase with rising temperature

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.

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.

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.

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.

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)

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).

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

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

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

Density and viscosity of aqueous solutions of N,N-dimethylethanolamine at p = 0.1 MPa from T = (293.15 to 363.15) K

Energy Technology Data Exchange (ETDEWEB)

Bernal-Garcia, J. Manuel [Instituto Mexicano del Petroleo, Mexico D.F. C.P. 07330 (Mexico); Hall, Kenneth R. [Chemical Engineering Department, Texas A and M University, College Station, TX 77843 (United States); Estrada-Baltazar, Alejandro [Departamento de Ingenieria Quimica, Instituto Tecnologico de Celaya, Celaya, Guanajuato, CP 38010 (Mexico); Iglesias-Silva, Gustavo A. [Departamento de Ingenieria Quimica, Instituto Tecnologico de Celaya, Celaya, Guanajuato, CP 38010 (Mexico)]. E-mail: gais@iqcelaya.itc.mx

2005-08-15

This work presents atmospheric density and viscosity values for (N,N-dimethylethanolamine + water) over the entire composition range from T (293.15 to 363.15) K for density and from T = (313.15 to 353.15) K for viscosity. Density measurements come from a vibrating tube densimeter while we have used three different Cannon-Fenske viscosimeters for the viscosity measurements. Excess molar volumes and viscosity deviations are calculated using a Redlich-Kister type equation. Excess molar volumes present negative deviations from ideality and viscosity deviations are positive at all temperatures and compositions in this work.

Density and viscosity of aqueous solutions of N,N-dimethylethanolamine at p = 0.1 MPa from T = (293.15 to 363.15) K

International Nuclear Information System (INIS)

Bernal-Garcia, J. Manuel; Hall, Kenneth R.; Estrada-Baltazar, Alejandro; Iglesias-Silva, Gustavo A.

2005-01-01

This work presents atmospheric density and viscosity values for (N,N-dimethylethanolamine + water) over the entire composition range from T (293.15 to 363.15) K for density and from T = (313.15 to 353.15) K for viscosity. Density measurements come from a vibrating tube densimeter while we have used three different Cannon-Fenske viscosimeters for the viscosity measurements. Excess molar volumes and viscosity deviations are calculated using a Redlich-Kister type equation. Excess molar volumes present negative deviations from ideality and viscosity deviations are positive at all temperatures and compositions in this work

A density model based on the Modified Quasichemical Model and applied to the (NaCl + KCl + ZnCl2) liquid

International Nuclear Information System (INIS)

Ouzilleau, Philippe; Robelin, Christian; Chartrand, Patrice

2012-01-01

Highlights: ► A model for the density of multicomponent inorganic liquids. ► The density model is based on the Modified Quasichemical Model. ► Application to the (NaCl + KCl + ZnCl 2 ) ternary liquid. ► A Kohler–Toop-like asymmetric interpolation method was used. - Abstract: A theoretical model for the density of multicomponent inorganic liquids based on the Modified Quasichemical Model has been presented previously. By introducing in the Gibbs free energy of the liquid phase temperature-dependent molar volume expressions for the pure components and pressure-dependent excess parameters for the binary (and sometimes higher-order) interactions, it is possible to reproduce, and eventually predict, the molar volume and the density of the multicomponent liquid phase using standard interpolation methods. In the present article, this density model is applied to the (NaCl + KCl + ZnCl 2 ) ternary liquid and a Kohler–Toop-like asymmetric interpolation method is used. All available density data for the (NaCl + KCl + ZnCl 2 ) liquid were collected and critically evaluated, and optimized pressure-dependent model parameters have been found. This new volumetric model can be used with Gibbs free energy minimization software, to calculate the molar volume and the density of (NaCl + KCl + ZnCl 2 ) ternary melts.

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.

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.

Densities, Ultrasonic Speeds, and Excess Properties of Binary Mixtures of Diethylene Glycol with 1-Butanol, 2-Butanol, and 1,4-Butanediol at Different Temperatures

Science.gov (United States)

Ali, Anwar; Ansari, Sana; Uzair, Sahar; Tasneem, Shadma; Nabi, Firdosa

2015-11-01

Densities ρ and ultrasonic speeds u for pure diethylene glycol, 1-butanol, 2-butanol, and 1,4-butanediol and for their binary mixtures over the entire composition range were measured at 298.15 K, 303.15 K, 308.15 K, and 313.15 K. Using these data, the excess molar volumes, VE_m, deviations in isentropic compressibilities, {\\varDelta }ks, apparent molar volumes, V_{φi} , partial molar volumes, overline{V}_{m,i} , and excess partial molar volumes, overline{V}_{m,i}^E , have been calculated over the entire composition range, and also the excess partial molar volumes of the components at infinite dilution, overline{V}_{m,i}^{E,infty } have been calculated. The excess functions have been correlated using the Redlich-Kister equation at different temperatures. The variations of these derived parameters with composition and temperature are presented graphically.

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.

Bone density around the fixture after function of implant molar prosthesis using CBCT

Energy Technology Data Exchange (ETDEWEB)

Jung, Jae Hyun; Hwang, In Taik; Jung, Byung Hyun; Kim, Jae Duk; Kang, Dong Wan [School of Dentistry, Oral Biology Research Institute, Chosun University, Gwangju (Korea, Republic of)

2010-03-15

The purpose of this study was to examine the significance of increased bone density according to whether bone grafts were applied using demographic data with Cone Beam Computed Tomography (CBCT) and to compare the bone densities between before and after implant prosthesis using the Hounsfield index. Thirty-six randomly selected computed tomography (CT) scans were used for the analysis. The same sites were evaluated digitally using the Hounsfield scale with V-Implant 2.0TM, and the results were compared with maxillary posterior bone graft. Statistical data analysis was carried out to determine the correlation between the recorded Hounsfield unit (HU) of the bone graft and implant prosthesis using a Mann-Whitney U test and Wilcoxon Matched-pairs test. The bone grafted maxillary posterior teeth showed an increase in the mean values from-157 HU to 387 HU, whereas non-grafted maxillary posterior teeth showed an increase from 62 HU to 342 HU. After implantation, the grafted and non-grafted groups showed significantly higher bone density than before implantation. However, the grafted group showed significantly more changes than the non-grafted group. Bone density measurements using CBCT might provide an objective assessment of the bone quality as well as the correlation between bone density (Hounsfield scale) and bone grafts in the maxillary molar area.

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.

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

Density and Structure Analysis of Molten Ni-W Alloys

Institute of Scientific and Technical Information of China (English)

Feng XIAO; Liang FANG

2004-01-01

Density of molten Ni and Ni-W alloys was measured in the temperature range of 1773～1873 K with a sessile drop method.The density of molten Ni and Ni-W alloys trends to decrease with increasing temperature. The density and molar volume of the alloys trend to increase with increasing W concentration in the alloys. The calculation result shows an ideal mixing of Ni-W alloys.

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.

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.

Permittivity and density of the systems (monoglyme, diglyme, triglyme, or tetraglyme + n-heptane) at several temperatures

International Nuclear Information System (INIS)

Riadigos, C.F.; Iglesias, R.; Rivas, M.A.; Iglesias, T.P.

2011-01-01

Relative permittivity and density on mixing at atmospheric pressure and temperatures from (288.15 to 308.15) K and atmospheric pressure have been measured over the entire composition range of mixing for {CH 3 O(CH 2 CH 2 O) m CH 3 with m = 1, 2, 3, 4 (also called monoglyme, diglyme, triglyme, or tetraglyme) + n-heptane}. The permittivity values were fitted as a function of the volume fraction and temperature to a logarithmic equation. The excess permittivity is calculated considering a definition that has been recently established in terms of the volume fraction. Excess molar volumes on mixing for the above systems have also been calculated. The density and excess molar volumes were fitted as a function of both mole fraction and temperature to a polynomial equation. The temperature dependence of derived magnitudes, (∂V m E /∂T) P,x and (∂H m E /∂P) T,x , was computed, given their importance in the study of specific molecular interactions. The experimental values of permittivity have been compared to those estimated by usual models of literature and the results indicate that the predictions are better when the volume change on mixing is incorporated in calculations. From the values of permittivity and density on mixing the dipole moment for tetraglyme was calculated. The work concludes with an interpretation of the sign of excess permittivity and its behaviour with temperature and that of excess molar volume.

A surface structural model for ferrihydrite I: Sites related to primary charge, molar mass, and mass density

Science.gov (United States)

Hiemstra, Tjisse; Van Riemsdijk, Willem H.

2009-08-01

A multisite surface complexation (MUSIC) model for ferrihydrite (Fh) has been developed. The surface structure and composition of Fh nanoparticles are described in relation to ion binding and surface charge development. The site densities of the various reactive surface groups, the molar mass, the mass density, the specific surface area, and the particle size are quantified. As derived theoretically, molecular mass and mass density of nanoparticles will depend on the types of surface groups and the corresponding site densities and will vary with particle size and surface area because of a relatively large contribution of the surface groups in comparison to the mineral core of nanoparticles. The nano-sized (˜2.6 nm) particles of freshly prepared 2-line Fh as a whole have an increased molar mass of M ˜ 101 ± 2 g/mol Fe, a reduced mass density of ˜3.5 ± 0.1 g/cm 3, both relatively to the mineral core. The specific surface area is ˜650 m 2/g. Six-line Fh (5-6 nm) has a molar mass of M ˜ 94 ± 2 g/mol, a mass density of ˜3.9 ± 0.1 g/cm 3, and a surface area of ˜280 ± 30 m 2/g. Data analysis shows that the mineral core of Fh has an average chemical composition very close to FeOOH with M ˜ 89 g/mol. The mineral core has a mass density around ˜4.15 ± 0.1 g/cm 3, which is between that of feroxyhyte, goethite, and lepidocrocite. These results can be used to constrain structural models for Fh. Singly-coordinated surface groups dominate the surface of ferrihydrite (˜6.0 ± 0.5 nm -2). These groups can be present in two structural configurations. In pairs, the groups either form the edge of a single Fe-octahedron (˜2.5 nm -2) or are present at a single corner (˜3.5 nm -2) of two adjacent Fe octahedra. These configurations can form bidentate surface complexes by edge- and double-corner sharing, respectively, and may therefore respond differently to the binding of ions such as uranyl, carbonate, arsenite, phosphate, and others. The relatively low PZC of

Density and speed of sound of lithium bromide with organic solvents: Measurement and correlation

Energy Technology Data Exchange (ETDEWEB)

Zafarani-Moattar, Mohammed Taghi [Department of Physical Chemistry, Faculty of Chemistry, University of Tabriz, Tabriz 51664 (Iran, Islamic Republic of); Research Institute of Fundamental Sciences, Tabriz 51664 (Iran, Islamic Republic of)], E-mail: zafarani47@yahoo.com; Shekaari, Hemayat [Department of Physical Chemistry, Faculty of Chemistry, University of Tabriz, Tabriz 51664 (Iran, Islamic Republic of); Research Institute of Fundamental Sciences, Tabriz 51664 (Iran, Islamic Republic of)

2007-12-15

Densities, {rho}, and speed of sound, u, of the solutions of LiBr with non-aqueous solvents (methanol, ethanol, 2-propanol, acetone, and acetonitrile) having a wide range of dielectric constants were measured at T = 298.15 K. Also, these measurements were made for the system (LiBr + N,N-dimethylacetamide) at T = 323.15 K. For the investigated systems, the limiting values for apparent molar volume, V{sub {phi}}{sup 0}, and the apparent molar isentropic compressibility, {kappa}{sub {phi}}{sup 0}, were obtained from the Redlich-Mayer and an abbreviated form of the Pitzer equations. The Pitzer and NRTL equations were satisfactorily used for the correlation of apparent molar volumes, V{sub {phi}}, and the apparent molar isentropic compressibility, {kappa}{sub {phi}}, values of the studied systems.

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

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)

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.

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

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.

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

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

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.

On the density and viscosity of (water + dimethylsulphoxide) binary mixtures

International Nuclear Information System (INIS)

Carmen Grande, Maria del; Julia, Jorge Alvarez; Garcia, Mariano; Marschoff, Carlos M.

2007-01-01

Density and viscosity of (water + dimethylsulphoxide) were measured precisely over the whole composition range at T = (298.15, 303.15, 308.15, 313.15, and 318.15) K. Differences between values from different authors are clarified and more reliable partial molar volumes are obtained

Magmatic densities control erupted volumes in Icelandic volcanic systems

Science.gov (United States)

Hartley, Margaret; Maclennan, John

2018-04-01

Magmatic density and viscosity exert fundamental controls on the eruptibility of magmas. In this study, we investigate the extent to which magmatic physical properties control the eruptibility of magmas from Iceland's Northern Volcanic Zone (NVZ). By studying subaerial flows of known age and volume, we are able to directly relate erupted volumes to magmatic physical properties, a task that has been near-impossible when dealing with submarine samples dredged from mid-ocean ridges. We find a strong correlation between magmatic density and observed erupted volumes on the NVZ. Over 85% of the total volume of erupted material lies close to a density and viscosity minimum that corresponds to the composition of basalts at the arrival of plagioclase on the liquidus. These magmas are buoyant with respect to the Icelandic upper crust. However, a number of small-volume eruptions with densities greater than typical Icelandic upper crust are also found in Iceland's neovolcanic zones. We use a simple numerical model to demonstrate that the eruption of magmas with higher densities and viscosities is facilitated by the generation of overpressure in magma chambers in the lower crust and uppermost mantle. This conclusion is in agreement with petrological constraints on the depths of crystallisation under Iceland.

Magmatic Densities Control Erupted Volumes in Icelandic Volcanic Systems

Directory of Open Access Journals (Sweden)

Margaret Hartley

2018-04-01

Full Text Available Magmatic density and viscosity exert fundamental controls on the eruptibility of magmas. In this study, we investigate the extent to which magmatic physical properties control the eruptibility of magmas from Iceland's Northern Volcanic Zone (NVZ. By studying subaerial flows of known age and volume, we are able to directly relate erupted volumes to magmatic physical properties, a task that has been near-impossible when dealing with submarine samples dredged from mid-ocean ridges. We find a strong correlation between magmatic density and observed erupted volumes on the NVZ. Over 85% of the total volume of erupted material lies close to a density and viscosity minimum that corresponds to the composition of basalts at the arrival of plagioclase on the liquidus. These magmas are buoyant with respect to the Icelandic upper crust. However, a number of small-volume eruptions with densities greater than typical Icelandic upper crust are also found in Iceland's neovolcanic zones. We use a simple numerical model to demonstrate that the eruption of magmas with higher densities and viscosities is facilitated by the generation of overpressure in magma chambers in the lower crust and uppermost mantle. This conclusion is in agreement with petrological constraints on the depths of crystallization under Iceland.

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.

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.

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.

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

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...

Inelastic neutron scattering from high-density fcc 4He

International Nuclear Information System (INIS)

Thomlinson, W.; Eckert, J.; Shirane, G.

1978-01-01

The phonon dispersion relations in high-density crystals of fcc 4 He have been measured along high-symmetry directions by the neutron-inelastic-scattering technique. A recent study of the lattice dynamics of fcc 4 He by Eckert et al. has been extended to cover the fcc phase diagram at pressures below 5 kbar. Molar volumes of 9.03, 9.43, and 9.97 cm 3 /mole have been studied in the temperature range from near the melting curve to near the fcc-hcp transition line. The phonon dispersion relations are in good agreement with a first-order self-consistent phonon theory calculation by Goldman. The observed phonon-group line shapes at large energy and momentum transfers show evidence for multiphonon scattering in agreement with calculations by Glyde. Eckert et al. reported extremely large anharmonic isochoric temperature shifts of the phonon energies. The present work studied the shifts as a function of molar volume and temperature. Mode-Grueneisen-parameter dispersion curves have been measured using the present data and earlier measurements at lower density in the fcc phase by Traylor et al. Macroscopic Grueneisen parameters have been calculated from the phonon density of states obtained from the data

Density, refraction index and vapor–liquid equilibria of N-methyl-2-hydroxyethylammonium butyrate plus (methyl acetate or ethyl acetate or propyl acetate) at several temperatures

International Nuclear Information System (INIS)

Alvarez, V.H.; Mattedi, S.; Aznar, M.

2013-01-01

Highlights: ► Densities, refraction indices and VLE were measured for ester + m-2-HEAB mixtures. ► V E , apparent molar volumes and thermal expansion coefficients were calculated. ► Peng–Robinson EoS + Wong–Sandler mixing rule + COSMO-SAC predicted the data. -- Abstract: This paper reports the densities, refraction indices, and vapor liquid equilibria for binary systems ester + N-methyl-2-hydroxyethylammonium butyrate (m-2-HEAB): methyl acetate (1) + m-2-HEAB (2), ethyl acetate (1) + m-2-HEAB and propyl acetate (1) + m-2-HEAB (2). The excess molar volumes, deviations in the refraction index, apparent molar volumes, and thermal expansion coefficients for the binary systems were fitted to polynomial equations. The Peng–Robinson equation of state, coupled with the Wong–Sandler mixing rule, is used to describe the experimental data. Since the predictive activity coefficient model COSMO-SAC is used in the Wong–Sandler mixing rule, the resulting thermodynamic model is a completely predictive one. The prediction results for the density and for the vapor–liquid equilibria have a deviation lower than 1.0% and 1.1%, respectively

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.

Density and electrical conductivity of NaCl-CoCl2 and NaCl-NiCl2 molten mixtures

International Nuclear Information System (INIS)

Red'kin, A.A.; Salyulev, A.B.; Smirnov, M.V.; Khokhlov, V.A.

1995-01-01

The density and electrical conductivity of cobalt and nickel dichlorides and their solutions in molten sodium chloride have been measured. The density was measured by a dilatometric method, and the electrical conductivity by an AC technique. The molar volume and equivalent conductance were calculated. (orig.)

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

Momentum density of hcp and liquid helium-4 by inelastic neutron scattering

International Nuclear Information System (INIS)

Hilleke, R.O.

1983-01-01

A measurement of the momentum density in hcp and liquid 4 He by inelastic neutron scattering is reported. Using the Low Resolution Medium Energy Chopper Spectrometer at the Intense Pulsed Neutron Source at Argonne National Laboratory, momentum transfers in the range 12 to 22.5 A -1 were attained. At these momentum transfers, the momentum density of the sample is related to the dynamic structure factor by the impulse approximation. The measured momentum distribution is Gaussian and the kinetic energy is larger than proposed by existing theories. Data were taken on two solid samples, the first was a 19.45 cm 3 /mole hcp solid, the second was 18.20 cm 3 /mole; both solid samples were maintained at 1.70 K during data collection. Data were also taken on a liquid sample with a molar volume of 18.20 cm 3 /mole at 4.00 K. At 1.70 K the two solid samples are essentially in their ground states so that the measurement is of the ground state momentum density. The liquid sample was included to see if the difference between the liquid and solid momentum density at the same molar volume was observable

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

Density Measurement of Liquid Ni-Ta Alloys by a Modified Sessile Drop Method

Institute of Scientific and Technical Information of China (English)

FANG Liang; XIAO Feng; TAO Zainan; Kusuhiro Mukai

2005-01-01

The density of liquid Ni-Ta alloys was measured by using a modified sessile drop method. It is found that the density of the liquid Ni-Ta alloys decreases with the increasing temperature, but increases with the increase of tantalum concentration in the alloys. The molar volume of liquid Ni-Ta binary alloys increases with the increase of temperature and tantalum concentration.

Influence of ZnO seed layer precursor molar ratio on the density of interface defects in low temperature aqueous chemically synthesized ZnO nanorods/GaN light-emitting diodes

Energy Technology Data Exchange (ETDEWEB)

Alnoor, Hatim, E-mail: hatim.alnoor@liu.se; Iandolo, Donata; Willander, Magnus; Nur, Omer [Department of Science and Technology (ITN), Linköping University, SE-601 74 Norrköping (Sweden); Pozina, Galia; Khranovskyy, Volodymyr; Liu, Xianjie [Department of Physics, Chemistry and Biology (IFM), Linköping University, SE-583 81 Linköping (Sweden)

2016-04-28

Low temperature aqueous chemical synthesis (LT-ACS) of zinc oxide (ZnO) nanorods (NRs) has been attracting considerable research interest due to its great potential in the development of light-emitting diodes (LEDs). The influence of the molar ratio of the zinc acetate (ZnAc): KOH as a ZnO seed layer precursor on the density of interface defects and hence the presence of non-radiative recombination centers in LT-ACS of ZnO NRs/GaN LEDs has been systematically investigated. The material quality of the as-prepared seed layer as quantitatively deduced by the X-ray photoelectron spectroscopy is found to be influenced by the molar ratio. It is revealed by spatially resolved cathodoluminescence that the seed layer molar ratio plays a significant role in the formation and the density of defects at the n-ZnO NRs/p-GaN heterostructure interface. Consequently, LED devices processed using ZnO NRs synthesized with molar ratio of 1:5 M exhibit stronger yellow emission (∼575 nm) compared to those based on 1:1 and 1:3 M ratios as measured by the electroluminescence. Furthermore, seed layer molar ratio shows a quantitative dependence of the non-radiative defect densities as deduced from light-output current characteristics analysis. These results have implications on the development of high-efficiency ZnO-based LEDs and may also be helpful in understanding the effects of the ZnO seed layer on defect-related non-radiative recombination.

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.

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.

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)

Density of Liquid Steel over Temperature Range of 1 803-1 873 K

Institute of Scientific and Technical Information of China (English)

XIAO Feng; FANG Liang

2004-01-01

The density of three kinds of liquid steel was measured by a modified sessile drop method over the temperature range of 1 803-1 873 K. It is found that the density of liquid steels decreases with increasing temperature and carbon content in steel. Both of the density and its absolute temperature coefficient of studied steels are smaller than the literature values of pure iron. The molar volume of the steels increases with increasing temperature.

Density and electrical conductivity of NaCl-CoCl{sub 2} and NaCl-NiCl{sub 2} molten mixtures

Energy Technology Data Exchange (ETDEWEB)

Red` kin, A A [Institute of High Temp. Electrochem., Ekaterinburg (Russian Federation); Salyulev, A B [Institute of High Temp. Electrochem., Ekaterinburg (Russian Federation); Smirnov, M V [Institute of High Temp. Electrochem., Ekaterinburg (Russian Federation); Khokhlov, V A [Institute of High Temp. Electrochem., Ekaterinburg (Russian Federation)

1995-11-01

The density and electrical conductivity of cobalt and nickel dichlorides and their solutions in molten sodium chloride have been measured. The density was measured by a dilatometric method, and the electrical conductivity by an AC technique. The molar volume and equivalent conductance were calculated. (orig.)

Densities and viscosities of binary mixtures of {dimethylsulfoxide+aliphatic lower alkanols (C1-C3)} at temperatures from T=303.15K to T=323.15K

International Nuclear Information System (INIS)

Bhuiyan, M.M.H.; Ferdaush, J.; Uddin, M.H.

2007-01-01

Densities and viscosities for dimethylsulfoxide (DMSO) with methanol, ethanol, 1-propanol, and 2-propanol have been measured as a function of mole fraction at T=(303.15, 308.15, 313.15, 318.15, and 323.15)K and atmospheric pressure. From the measurements, excess molar volumes (V m E ), excess viscosities (η E ), and Grunberg and Nissan interaction parameters (ε) have been calculated. The excess parameters are fitted to a Redlich-Kister equation. Excess molar volumes (V m E ) are negative for (DMSO+methanol, +ethanol) systems throughout the whole range of composition. The (DMSO+1-propanol) system shows both positive and negative excess molar volumes and (DMSO+2-propanol) shows positive excess molar volume, hardly any negative value is observed in alcohol rich-region. The excess viscosities and interaction parameters of all the mixtures are negative except for the (DMSO+methanol) system which is positive

Densities,　Viscosities　and　Related　Properties　for　Binary　Mixtures　of　Sulfolane　＋　p-Xylene,　Sulfolane　＋　Ethylbenzene　in　the　Temperature　Range　from　303.15　K　to　353.15　K

Institute of Scientific and Technical Information of China (English)

杨长生; 马沛生; 周清

2004-01-01

Densities and viscosities of the binary systems of sulfolane ＋ ethylbenzene, sulfolane ＋ p-xylene have been experimentally determined in temperature interval 303.15—353.15 K and at atmospheric pressure for the whole composition range. The excess molar volumes and viscosity deviations were computed. The computed quantities have been fitted to Redlich-Kister equation. Excess molar volumes and viscosity deviation show a systematic change with increasing temperature. Two mixtures exhibit negative excess volumes with a minimum which occurs approximately at χ = 0.5. The effect of the size, shape and interaction of components on excess molar volumes and viscosity deviations is discussed.

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.

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.

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.

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

Density of Ga2O3 Liquid

OpenAIRE

Dingwell, Donald B.

1992-01-01

The density of Ga2O3 liquid in equilibrium with air has been measured at 18000 to 19000C using an Ir double-bob Archimedean method. The data yield the following description of the density of Ga2O3 liquid: ρ= 4.8374(84)–0.00065(12)(T −18500C). This density-temperature relationship is compared with the partial molar volume of Ga2O3 in glasses in the systems CaO–Ga2O3–SiO2 and Na2O–Ga2O3–SiO2, corrected to the glass transition temperature using thermal expansivities. The comparison illustrates t...

A NEW RECIPE FOR OBTAINING CENTRAL VOLUME DENSITIES OF PRESTELLAR CORES FROM SIZE MEASUREMENTS

International Nuclear Information System (INIS)

Tassis, Konstantinos; Yorke, Harold W.

2011-01-01

We propose a simple analytical method for estimating the central volume density of prestellar molecular cloud cores from their column density profiles. Prestellar cores feature a flat central part of the column density and volume density profiles of the same size indicating the existence of a uniform-density inner region. The size of this region is set by the thermal pressure force which depends only on the central volume density and temperature of the core, and can provide a direct measurement of the central volume density. Thus, a simple length measurement can immediately yield a central density estimate independent of any dynamical model for the core and without the need for fitting. Using the radius at which the column density is 90% of the central value as an estimate of the size of the flat inner part of the column density profile yields an estimate of the central volume density within a factor of two for well-resolved cores.

Effect of temperature on density, sound velocity, and their derived properties for the binary systems glycerol with water or alcohols

International Nuclear Information System (INIS)

Negadi, Latifa; Feddal-Benabed, Badra; Bahadur, Indra; Saab, Joseph; Zaoui-Djelloul-Daouadji, Manel; Ramjugernath, Deresh; Negadi, Amina

2017-01-01

Highlights: • Densities (ρ) and sound velocities (u) for glycerol, +water, +methanol, or +ethanol systems were measured. • The derived properties (excess molar volume, isentropic compressibility and deviation in isentropic compressibility) were calculated. • The Redlich–Kister polynomial was used to fit the experimental results. - Abstract: Densities and sound velocities of three binary systems containing glycerol + (water, methanol, or ethanol) have been measured over the entire composition range at temperatures ranging from (283.15 to 313.15) K in 10 K intervals, at atmospheric pressure. A vibrating u-tube densimeter and sound velocity analyzer (Anton Paar DSA 5000M) was used for the measurements. Thermodynamic properties were derived from the measured data, viz. excess molar volume, isentropic compressibility, and deviation in isentropic compressibility. The property data were correlated with the Redlich-Kister polynomial. In all cases, the excess molar volumes and deviation in isentropic compressibility are negative over the entire composition range for all binary mixtures studied and become increasingly negative with an increase in the temperature. These properties provide important information about different interactions that take place between like-like, like-unlike and unlike-unlike molecules in the mixtures.

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.

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.

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.

Plasma volume methodology: Evans blue, hemoglobin-hematocrit, and mass density transformations

Science.gov (United States)

Greenleaf, J. E.; Hinghofer-Szalkay, H.

1985-01-01

Methods for measuring absolute levels and changes in plasma volume are presented along with derivations of pertinent equations. Reduction in variability of the Evans blue dye dilution technique using chromatographic column purification suggests that the day-to-day variability in the plasma volume in humans is less than + or - 20 m1. Mass density determination using the mechanical-oscillator technique provides a method for measuring vascular fluid shifts continuously for assessing the density of the filtrate, and for quantifying movements of protein across microvascular walls. Equations for the calculation of volume and density of shifted fluid are presented.

Density of Ni-Cr Alloy in the Mushy State

Institute of Scientific and Technical Information of China (English)

无

2003-01-01

The density of Ni-Cr alloy in the mushy state has been measured using the modified sessile drop method. The density of Ni-Cr alloy in the mushy state was found to decrease with increasing temperature and Cr concentration in alloy.The molar volume of Ni-Cr alloy in the mushy state therefore increases with increasing the Cr concentration in alloy.The ratio of the difference of density divided by the temperature difference between liquidus and solidus temperatures decreases with increasing Cr concentration. The density of the alloy increased with the precipitation of a solid phase in alloy during the solidification process. The temperature dependence of the density of alloy in the mushy state was not linear but biquadratic.

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.

Free volume of mixed cation borosilicate glass sealants elucidated by positron annihilation lifetime spectroscopy and its correlation with glass properties

Science.gov (United States)

Ojha, Prasanta K.; Rath, Sangram K.; Sharma, Sandeep K.; Sudarshan, Kathi; Pujari, Pradeep K.; Chongdar, Tapas K.; Gokhale, Nitin M.

2015-01-01

The role of La+3/Sr+2 ratios, which is varied from 0.08 to 5.09, on density, molar volume, packing fraction, free volume, thermal and electrical properties in strontium lanthanum aluminoborosilicate based glass sealants intended for solid oxide fuel cell (SOFC) applications is evaluated. The studies reveal expansion of the glass network evident from increasing molar volume and decreasing packing fraction of glasses with progressive La+3 substitutions. The molecular origin of these macroscopic structural features can be accounted for by the free volume parameters measured from positron annihilation lifetime spectroscopy (PALS). The La+3 induced expanded glass networks show increased number of subnanoscopic voids with larger sizes, as revealed from the ortho-positronium (o-Ps) lifetime and its intensity. A remarkably direct correspondence between the molar volume and fractional free volume trend is established with progressive La2O3 substitution in the glasses. The effect of these structural changes on the glass transition temperature, softening temperature, coefficient of thermal expansion, thermal stability as well as electrical conductivity has been studied.

Osmotic and apparent molar properties of binary mixtures alcohol + 1-butyl-3-methylimidazolium trifluoromethanesulfonate ionic liquid

International Nuclear Information System (INIS)

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

2013-01-01

Highlights: ► Osmotic and physical properties of binary mixtures {alcohol + [BMim][TfO]} were measured. ► From experimental data, apparent molar properties and osmotic coefficients were calculated. ► The apparent properties were fitted using a Redlich–Meyer type equation. ► The osmotic coefficients were correlated using the Extended Pitzer model. -- Abstract: In this work, physical properties (densities and speeds of sound) for the binary systems {1-propanol, or 2-propanol, or 1-butanol, or 2-butanol, or 1-pentanol + 1-butyl-3-methylimidazolium trifluoromethanesulfonate} were experimentally measured from T = (293.15 to 323.15) K and at atmospheric pressure. These data were used to calculate the apparent molar volume and apparent molar isentropic compression which were fitted to a Redlich–Meyer type equation. This fit was used to obtain the corresponding apparent molar properties at infinite dilution. On the other hand, the osmotic and activity coefficients and vapor pressures of these binary mixtures were also determined at T = 323.15 K using the vapor pressure osmometry technique. The Extended Pitzer model of Archer was employed to correlate the experimental osmotic coefficients. From the parameters obtained in the correlation, the mean molal activity coefficients and the excess Gibbs free energy for the studied mixtures were calculated

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.

Densities and viscosities of binary mixtures of {l_brace}dimethylsulfoxide+aliphatic lower alkanols (C{sub 1}-C{sub 3}){r_brace} at temperatures from T=303.15K to T=323.15K

Energy Technology Data Exchange (ETDEWEB)

Bhuiyan, M.M.H. [Department of Chemistry, University of Dhaka, Dhaka 1000 (Bangladesh)]. E-mail: bhuiyan_du@yahoo.com; Ferdaush, J. [Youngone Central Laboratory, Youngone Hi-Tech Sportswear Ind. Ltd, Dhaka Export Processing Zone, Savar, Dhaka (Bangladesh); Uddin, M.H. [Department of Applied Physics and Chemistry, University of Electro-Communications, 1-5-1 Chofu-shi, Chofugawaka, Tokyo (Japan)

2007-05-15

Densities and viscosities for dimethylsulfoxide (DMSO) with methanol, ethanol, 1-propanol, and 2-propanol have been measured as a function of mole fraction at T=(303.15, 308.15, 313.15, 318.15, and 323.15)K and atmospheric pressure. From the measurements, excess molar volumes (V{sub m}{sup E}), excess viscosities ({eta}{sup E}), and Grunberg and Nissan interaction parameters ({epsilon}) have been calculated. The excess parameters are fitted to a Redlich-Kister equation. Excess molar volumes (V{sub m}{sup E}) are negative for (DMSO+methanol, +ethanol) systems throughout the whole range of composition. The (DMSO+1-propanol) system shows both positive and negative excess molar volumes and (DMSO+2-propanol) shows positive excess molar volume, hardly any negative value is observed in alcohol rich-region. The excess viscosities and interaction parameters of all the mixtures are negative except for the (DMSO+methanol) system which is positive.

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

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.

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.

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

Science.gov (United States)

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

2012-10-01

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

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 ...

Density measurements under pressure for the binary system 1-propanol plus toluene

DEFF Research Database (Denmark)

Zeberg-Mikkelsen, Claus Kjær; Andersen, Simon Ivar

2005-01-01

and seven isobars up to 30 MPa. The uncertainty of the reported densities is less than 0.05%. The measured data has been used to study the influence of temperature, pressure, and composition on the isothermal compressibility and the isobaric thermal expansivity as well as the excess molar volume, which...... shows a complex sigmoid behavior involving both positive and negative values. This complex behavior has been interpreted as the result of changes in the free volume due to volume expansion and compressibility as a result of the breaking of hydrogen bonds of the self-associating alcohol molecules...

Millimeter-wave Line Ratios and Sub-beam Volume Density Distributions

Energy Technology Data Exchange (ETDEWEB)

Leroy, Adam K.; Gallagher, Molly [Department of Astronomy, The Ohio State University, 140 West 18th Avenue, Columbus, OH 43210 (United States); Usero, Antonio [Observatorio Astronmico Nacional (IGN), C/Alfonso XII, 3, E-28014 Madrid (Spain); Schruba, Andreas [Max-Planck-Institut für extraterrestrische Physik, Giessenbachstraße 1, D-85748 Garching (Germany); Bigiel, Frank [Institute für theoretische Astrophysik, Zentrum für Astronomie der Universität Heidelberg, Albert-Ueberle Str. 2, D-69120 Heidelberg (Germany); Kruijssen, J. M. Diederik; Schinnerer, Eva [Astronomisches Rechen-Institut, Zentrum für Astronomie der Universität Heidelberg, Mönchhofstraße 12-14, D-69120 Heidelberg (Germany); Kepley, Amanda [National Radio Astronomy Observatory, 520 Edgemont Road, Charlottesville, VA 22903 (United States); Blanc, Guillermo A. [Departamento de Astronomía, Universidad de Chile, Casilla 36-D, Santiago (Chile); Bolatto, Alberto D. [Department of Astronomy, Laboratory for Millimeter-wave Astronomy, and Joint Space Institute, University of Maryland, College Park, MD 20742 (United States); Cormier, Diane; Jiménez-Donaire, Maria J. [Max Planck Institute für Astronomie, Königstuhl 17, D-69117, Heidelberg (Germany); Hughes, Annie [CNRS, IRAP, 9 av. du Colonel Roche, BP 44346, F-31028 Toulouse cedex 4 (France); Rosolowsky, Erik [Department of Physics, University of Alberta, Edmonton, AB (Canada)

2017-02-01

We explore the use of mm-wave emission line ratios to trace molecular gas density when observations integrate over a wide range of volume densities within a single telescope beam. For observations targeting external galaxies, this case is unavoidable. Using a framework similar to that of Krumholz and Thompson, we model emission for a set of common extragalactic lines from lognormal and power law density distributions. We consider the median density of gas that produces emission and the ability to predict density variations from observed line ratios. We emphasize line ratio variations because these do not require us to know the absolute abundance of our tracers. Patterns of line ratio variations have the potential to illuminate the high-end shape of the density distribution, and to capture changes in the dense gas fraction and median volume density. Our results with and without a high-density power law tail differ appreciably; we highlight better knowledge of the probability density function (PDF) shape as an important area. We also show the implications of sub-beam density distributions for isotopologue studies targeting dense gas tracers. Differential excitation often implies a significant correction to the naive case. We provide tabulated versions of many of our results, which can be used to interpret changes in mm-wave line ratios in terms of adjustments to the underlying density distributions.

Densities and viscosities for binary mixtures of n-heptane with alcohols at different temperatures

Directory of Open Access Journals (Sweden)

Budeanu Maria Magdalena

2017-01-01

Full Text Available Densities (ρ and viscosities (η of the binary systems n-heptane with alcohols (ethanol, propan-1-ol and propan-2-ol were measured at temperatures between 288.15 and 308.15 K and at atmospheric pressure, over the whole composition range. The excess values of molar volume (VE and viscosity (ηE were calculated from experimental measurements. The excess functions of the binary systems were fitted to Redlich–Kister Equation. Comparison between experimental excess molar volume and the one calculated from Flory and Prigogine–Flory–Patterson theories, has also been done. The viscosity results were fitted to the equations of Grunberg–Nissan, Heric–Brewer, Jouyban–Acree and McAllister. Also, the activation energies of viscous flow have been obtained and their variations with compositions have been discussed.

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.

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

Directory of Open Access Journals (Sweden)

Moreira José C.

2003-01-01

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

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 ...

Density and volume measurements of reprocessing plant feed

International Nuclear Information System (INIS)

Platzer, R.; Carrier, M.; Neuilly, M.; Dedaldechamp, P.

1985-05-01

A theoretical study of the phenomenon of gas bubbles formation within a liquid led to an adaptation of the differential pressure bubbling technique for the measurement of liquid levels and densities in tanks. Experiments, carried out on a 800 liters tank with water and uranyl nitrate solutions had the double aim to study the precision attainable on volume and density measurements and to design a method for corrections of influencing factors. In parallel, procedures for transfer of known volumes through the use of siphons and for tank calibration by liquid level measurement are also investigated. The paper presents the first results obtained so far and the conclusions to be drawn for the elaboration of calibration and exploitation procedures suitables for use in reprocessing plants. The demonstration to transfer mass of solution with an accuracy of 0.1% is made [fr

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.

Effect of phase behavior, density, and isothermal compressibility on the constant-volume heat capacity of ethane + n-pentane mixed fluids in different phase regions

International Nuclear Information System (INIS)

Mu, Tiancheng; Liu, Zhimin; Han, Buxing.; Li, Zhonghao; Zhang, Jianling; Zhang, Xiaogang

2003-01-01

The phase behavior, density, and constant-volume molar heat capacity (C v,m ) of ethane + n-pentane binary mixtures have been measured in the supercritical region and subcritical region at T=309.45 K. In addition, the isothermal compressibility (κ T ) has been calculated using the density data determined. For a mixed fluid with a composition close to the critical composition, C v,m and κ T increase sharply as the pressure approaches the critical point (CP), the dew point (DP), or the bubble point (BP). However, C v,m is not sensitive to pressure in the entire pressure range if the composition of the mixed fluid is far from the critical composition. To tune the properties of the binary mixtures effectively by pressure, both the composition and the pressure should be close to the critical point of the mixture. The intermolecular interactions in the mixture are also discussed on the basis of the experimental results

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

Densities, Viscosities and Related Properties for Binary Mixtures of Sulfolane + p-Xylene, Sulfolane + Ethylbenzene in the Temperature Range from 303.15 K to 353.15 K%二元混合物环丁酚和对二甲苯、乙苯在温度范围为303.15-353.15K下的密度、黏度及其相关性质

Institute of Scientific and Technical Information of China (English)

杨长生; 马沛生; 周清

2004-01-01

Densities and viscosities of the binary systems of sulfolane + ethylbenzene, sulfolane + p-xylene have been experimentally determined in temperature interval 303.15-353.15 K and at atmospheric pressure for the whole composition range. The excess molar volumes and viscosity deviations were computed. The computed quantities have been fitted to Redlich-Kister equation. Excess molar volumes and viscosity deviation show a systematic change with increasing temperature. Two mixtures exhibit negative excess volumes with a minimum which occurs approximately at x = 0.5. The effect of the size, shape and interaction of components on excess molar volumes and viscosity deviations is discussed.

MOLAR UPRIGHTING

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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.

Standard molar enthalpy of formation of methoxyacetophenone isomers

International Nuclear Information System (INIS)

Amaral, Luísa M.P.F.; Morais, Victor M.F.; Ribeiro da Silva, Manuel A.V.

2014-01-01

Highlights: • Experimental and computational energetic study of methoxyacetophenone isomers. • Enthalpies of formation and phase transition determined by calorimetric techniques. • Quantum chemical calculations allowed estimation of enthalpies of formation. • Structure and energy correlations were established. - Abstract: Values of the standard (p o = 0.1 MPa) molar enthalpy of formation of 2′-, 3′- and 4′-methoxyacetophenones were derived from their standard molar energy of combustion, in oxygen, at T = 298.15 K, measured by static bomb combustion calorimetry. The Calvet high temperature vacuum sublimation technique was used to measure the enthalpies of sublimation/vaporization of the compounds studied. The standard molar enthalpies of formation of the three compounds, in the gaseous phase, at T = 298.15 K, have been derived from the corresponding standard molar enthalpies of formation in the condensed phase and the standard molar enthalpies for the phase transition. The results obtained are −(232.0 ± 2.5), −(237.7 ± 2.7) and −(241.1 ± 2.1) kJ · mol −1 for 2′-, 3′- and 4′-methoxyacetophenone, respectively. Standard molar enthalpies of formation were also estimated from different methodologies: the Cox scheme as well as two different computational approaches using density functional theory-based B3LYP and the multilevel G3 methodologies

Densities, viscosities, and excess properties of binary mixtures of two imidazolide anion functionalized ionic liquids with water at T = (293.15 to 313.15) K

International Nuclear Information System (INIS)

Chen, Lingxiao; Chen, Jiayi; Song, Zihao; Cui, Guokai; Xu, Yingjie; Wang, Xuhong; Liu, Jian

2015-01-01

Highlights: • Densities and viscosities of binary mixtures of [HDBU]IM and [BDBU]IM with water were measured. • Excess molar volumes and viscosity deviations were calculated and fitted to Redlich–Kister equation. • Other volumetric properties and excess Gibbs free energy of activation for viscous flow were deduced. • The intermolecular interactions between water and [HDBU]IM or [BDBU]IM were analyzed and compared. - Abstract: Densities and viscosities of binary mixtures of 8-hydrogen-1,8-diazabicyclo[5,4,0]-undec-7-enium imidazolide ([HDBU]IM) and 8-butyl-1,8-diazabicyclo[5,4,0]-undec-7-enium imidazolide ([BDBU]IM) ionic liquids (ILs) with water were measured at temperatures from T = (293.15 to 313.15) K. Excess molar volumes V"E and viscosity deviations Δη of the mixtures were calculated to study the intermolecular interactions and structural factors between ILs and water. The results show that the V"E values of the two mixtures are negative over the whole composition range, while the Δη values have positive deviations, indicating that the hydrogen bonding interactions between IL and water are dominant in the mixtures. Moreover, the absolute values of V"E (|V"E|) of {[HDBU]IM (1) + H_2O (2)} system are larger than those of {[BDBU]IM (1) + H_2O (2)} system at the same condition, indicating that the hydrogen bonding interactions between [HDBU]IM and water are stronger than those between [BDBU]IM and water. Both |V"E| and Δη values of the mixtures decrease with the increasing temperature, resulting from the decreasing the hydrogen bonding interactions between IL and water. Other derived properties of the studied systems, such as the apparent molar volumes, partial molar volumes, excess partial molar volumes, Gibbs free energy of activation for viscous flow, and excess Gibbs free energy of activation for viscous flow were also calculated from the experimental values.

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

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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.

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.

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

OpenAIRE

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

1999-01-01

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

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.

Experimental densities, refractive indices, and speeds of sound of 12 binary mixtures containing alkanes and aromatic compounds at T = 313.15 K

International Nuclear Information System (INIS)

Calvar, Noelia; Gomez, Elena; Gonzalez, Begona; Dominguez, Angeles

2009-01-01

Densities, speeds of sound, and refractive indices of 12 binary systems of alkanes (hexane, heptane, octane, and nonane) with aromatics (benzene, or toluene, or ethylbenzene) at T = 313.15 K and at atmospheric pressure were determined over the whole composition range, and are presented in this paper. From the experimental results, the derived and excess properties (isentropic compressibility, excess molar volumes, and excess molar isentropic compressibility) at T = 313.15 K were calculated and satisfactorily fitted to the Redlich-Kister equation.

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.

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.

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)

Density, dynamic viscosity, and electrical conductivity of pyridinium-based hydrophobic ionic liquids

International Nuclear Information System (INIS)

Liu, Qing-Shan; Li, Pei-Pei; Welz-Biermann, Urs; Chen, Jian; Liu, Xiao-Xia

2013-01-01

Highlights: • Targets of this research are hydrophobic series ionic liquids. • Density, dynamic viscosity and electrical conductivity were determined. • Influences of methylene to properties were discussed. • Influences of methyl group on pyridinium ring position to properties were discussed. • Relationship of ρ, η and σ were described systematically. -- Abstract: Air and water stable hydrophobic ionic liquids (ILs) were synthesized: N-propyl-3-methylpyridinium bis(trifluoromethylsulfonyl)imide [C 3 3mpy][NTf 2 ], N-hexyl-3-methylpyridinium bis(trifluoromethylsulfonyl)imide [C 6 3mpy][NTf 2 ], and N-hexyl-4-methylpyridinium bis(trifluoromethylsulfonyl)imide [C 6 4mpy][NTf 2 ]. Density, dynamic viscosity, and electrical conductivity of ILs were determined at atmospheric pressure in the temperature range of (278 to 353) K. The effects of methylene and methyl groups to density, dynamic viscosity, and electrical conductivity, respectively, were discussed. The thermal expansion coefficient, molecular volume, standard molar entropy, and lattice energy of the samples were estimated in terms of empirical and semi-empirical equations based on the density values. The temperature dependence on dynamic viscosity and electrical conductivity values of the ILs were discussed by Vogel–Fulcher–Tamman (VFT) and Arrhenius equations. The molar conductivities were calculated by density and electrical conductivity values

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

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.

Optical properties of lead–tellurite glasses doped with samarium ...

Indian Academy of Sciences (India)

Administrator

392. Table 1. Density, molar volume, optical energy bandgap, refractive index, molar refraction and polarizability of oxide ion for. Sm2O3–PbO–TeO2 glasses. Glass composition (mol%). Energy. Molar. Polarizability. Density Molar volume bandgap. Refractive refraction. (αe). Sm2O3. PbO. TeO2. (ρ) (g/cm. 3. ) (Vm) (cm. –3. ).

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

Directory of Open Access Journals (Sweden)

Muñoz Cueto, María J.

1991-02-01

Full Text Available In the miscelies studied, molar volume and molar refraction values show linear dependence with the molar fraction of methyl stearate. Viscosity values fit Hildebrand's modified equation, where the "V_o" 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 "V_o" 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.

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

Science.gov (United States)

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

2014-09-10

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

Density,Viscosity,Refractive Index,and Speed of Sound in Binary Mixtures of Pyridine and 1-Alkanols(C6,C7,C8,C10)at 303.15 K

Institute of Scientific and Technical Information of China (English)

ALI Anwar; TARIQ Mohd; NABI Firdosa; SHAHJAHAN

2008-01-01

The densities(ρ),viscosities(η),refractive indices(nD),and speeds of sound(u),of binary mixtures of pyridine with 1-hexanoi,1-heptanol,1-octanol and 1-decanol,including those of pure liquids,were measured over the entire composition range at 303.15 K and atmospheric pressure.From these experimental data,the values of excess molar volumes(VE),deviations in isentropic compressibilities(△ks),viscosities(△η),molar refractions(△Rm),apparent and partial molar volumes(Vφ,2 and V0φ,2 ),apparent and partial molar compressibilities(Kφ,2 and K0φ,2 ),of alkanols in pyridine and their corresponding deviations(△V and △K)were calculated.The variations of these parameters with composition of the mixtures suggest that the strength of interactions in these mixtures follow the order:1-hexanol 1-heptanol 1-octanol 1-decanol.All the excess and deviation functions were fitted to Redlich-Kister polynomial equation to determine the fitting coefficients and the standard deviations.

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.

Solid hydrogen and deuterium. I. Ground-state energy calculated by a lowest order constrained-variation method

International Nuclear Information System (INIS)

Pettersen, G.; Oestgaard, E.

1988-01-01

The ground-state energy of solid hydrogen and deuterium is calculated by means of a modified variational lowest order constrained-variation (LOCV) method. Both fcc and hcp H 2 and D 2 are considered, and the calculations are done for five different two-body potentials. For solid H 2 we obtain theoretical results for the ground-state binding energy per particle from -74.9 K at an equilibrium particle density of 0.700 σ -3 or a molar volume of 22.3 cm 3 /mole to -91.3 K at a particle density of 0.725 σ -3 or a molar volume of 21.5 cm 3 /mole, where σ = 2.958 A. The corresponding experimental result is -92.3 K at a particle density of 0.688 σ -3 or a molar volume of 22.7 cm 3 /mole. For solid D 2 we obtain theoretical results for the ground-state binding energy per particle from -125.7 K at an equilibrium particle density of 0.830 σ -3 or a molar volume of 18.8 cm 3 /mole to -140.1 K at a particle density of 0.843 σ -3 or a molar volume of 18.5 cm 3 /mole. The corresponding experimental result is -137.9 K at a particle density of 0.797 σ -3 or a molar volume of 19.6 cm 3 /mole

Experimental investigation of thermodynamic properties of binary mixture of acetic acid + n-butanol and acetic acid + water at temperature from 293.15 K to 343.15 K

Science.gov (United States)

Paul, M. Danish John; Shruthi, N.; Anantharaj, R.

2018-04-01

The derived thermodynamic properties like excess molar volume, partial molar volume, excess partial molar volume and apparent volume of binary mixture of acetic acid + n-butanolandacetic acid + water has been investigated using measured density of mixtures at temperatures from 293.15 K to 343.15.

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.

The relationships between breast volume, breast dense volume and volumetric breast density with body mass index, body fat mass and ethnicity

Science.gov (United States)

Zakariyah, N.; Pathy, N. B.; Taib, N. A. M.; Rahmat, K.; Judy, C. W.; Fadzil, F.; Lau, S.; Ng, K. H.

2016-03-01

It has been shown that breast density and obesity are related to breast cancer risk. The aim of this study is to investigate the relationships of breast volume, breast dense volume and volumetric breast density (VBD) with body mass index (BMI) and body fat mass (BFM) for the three ethnic groups (Chinese, Malay and Indian) in Malaysia. We collected raw digital mammograms from 2450 women acquired on three digital mammography systems. The mammograms were analysed using Volpara software to obtain breast volume, breast dense volume and VBD. Body weight, BMI and BFM of the women were measured using a body composition analyser. Multivariable logistic regression was used to determine the independent predictors of increased overall breast volume, breast dense volume and VBD. Indians have highest breast volume and breast dense volume followed by Malays and Chinese. While Chinese are highest in VBD, followed by Malay and Indian. Multivariable analysis showed that increasing BMI and BFM were independent predictors of increased overall breast volume and dense volume. Moreover, BMI and BFM were independently and inversely related to VBD.

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.

Volumetric properties of binary mixtures of N-ethylformamide with tetrahydrofuran, 2-butanone, and ethylacetate from T = (293.15 to 313.15) K

International Nuclear Information System (INIS)

Gadžurić, Slobodan; Nikolić, Aleksandar; Vraneš, Milan; Jović, Branislav; Damjanović, Marko; Dožić, Sanja

2012-01-01

Highlights: ► Densities of N-ethylformamide mixtures with ketones and esters were measured. ► Excess molar volumes were fitted to Redlich–Kister polynomial equation. ► Excess molar volumes are negative in the whole mole fraction range. ► Increase of the temperature has influence on N-ethylformamide self-association. ► Complex formation between the components was not observed. - Abstract: Densities of binary liquid mixtures of N-ethylformamide (NEF) with tetrahydrofuran (THF), 2-butanone (B), and ethylacetate (EA) were measured at temperatures from (293.15 to 313.15) K and at atmospheric pressure over the whole composition range. Excess molar volumes, V E , have been obtained from values of the experimental density and were fitted to the Redlich–Kister polynomial equation. The V E values for all three mixtures are negative over the entire composition and temperature ranges. The V E values become more negative as the temperature increases for all binary mixtures studied. Other volumetric properties, such as isobaric thermal expansion coefficients, partial molar volumes, apparent molar volumes, partial molar excess volumes and excess thermal expansions have been calculated.

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.

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.

Characterization of size, anisotropy, and density heterogeneity of nanoparticles by sedimentation velocity

KAUST Repository

Demeler, Borries

2014-08-05

A critical problem in materials science is the accurate characterization of the size dependent properties of colloidal inorganic nanocrystals. Due to the intrinsic polydispersity present during synthesis, dispersions of such materials exhibit simultaneous heterogeneity in density ρ, molar mass M, and particle diameter d. The density increments ∂ρ/∂d and ∂ρ/∂M of these nanoparticles, if known, can then provide important information about crystal growth and particle size distributions. For most classes of nanocrystals, a mixture of surfactants is added during synthesis to control their shape, size, and optical properties. However, it remains a challenge to accurately determine the amount of passivating ligand bound to the particle surface post synthesis. The presence of the ligand shell hampers an accurate determination of the nanocrystal diameter. Using CdSe and PbS semiconductor nanocrystals, and the ultrastable silver nanoparticle (M4Ag 44(p-MBA)30), as model systems, we describe a Custom Grid method implemented in UltraScan-III for the characterization of nanoparticles and macromolecules using sedimentation velocity analytical ultracentrifugation. We show that multiple parametrizations are possible, and that the Custom Grid method can be generalized to provide high resolution composition information for mixtures of solutes that are heterogeneous in two out of three parameters. For such cases, our method can simultaneously resolve arbitrary two-dimensional distributions of hydrodynamic parameters when a third property can be held constant. For example, this method extracts partial specific volume and molar mass from sedimentation velocity data for cases where the anisotropy can be held constant, or provides anisotropy and partial specific volume if the molar mass is known. © 2014 American Chemical Society.

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

FOREWORD: Special issue on density

Science.gov (United States)

Fujii, Kenichi

2004-04-01

This special issue on density was undertaken to provide readers with an overview of the present state of the density standards for solids, liquids and gases, as well as the technologies developed for measuring density. This issue also includes topics on the refractive index of gases and on techniques used for calibrating hydrometers so that almost all areas concerned with density standards are covered in four review articles and seven original articles, most of which describe current research being conducted at national metrology institutes (NMIs). A review article was invited from the Ruhr-Universität Bochum to highlight research on the magnetic suspension densimeters. In metrology, the determinations of the volume of a weight and the density of air are of primary importance in establishing a mass standard because the effect of the buoyancy force of air acting on the weight must be known accurately to determine the mass of the weight. A density standard has therefore been developed at many NMIs with a close relation to the mass standard. Hydrostatic weighing is widely used to measure the volume of a solid. The most conventional hydrostatic weighing method uses water as a primary density standard for measuring the volume of a solid. A brief history of the determination of the density of water is therefore given in a review article, as well as a recommended value for the density of water with a specified isotopic abundance. The most modern technique for hydrostatic weighing uses a solid density standard instead of water. For this purpose, optical interferometers for measuring the diameters of silicon spheres have been developed to convert the length standard into the volume standard with a small uncertainty. A review article is therefore dedicated to describing the state-of-the-art optical interferometers developed for silicon spheres. Relative combined standard uncertainties of several parts in 108 have been achieved today for measuring the volume and density of

Constraining the supersaturation density equation of state from core-collapse supernova simulations? Excluded volume extension of the baryons

International Nuclear Information System (INIS)

Fischer, Tobias

2016-01-01

In this article the role of the supersaturation density equation of state (EOS) is explored in simulations of failed core-collapse supernova explosions. Therefore the nuclear EOS is extended via a one-parameter excluded-volume description for baryons, taking into account their finite and increasing volume with increasing density in excess of saturation density. Parameters are selected such that the resulting supernova EOS represent extreme cases, with high pressure variations at supersaturation density which feature extreme stiff and soft EOS variants of the reference case, i.e. without excluded-volume corrections. Unlike in the interior of neutron stars with central densities in excess of several times saturation density, central densities of core-collapse supernovae reach only slightly above saturation density. Hence, the impact of the supersaturation density EOS on the supernova dynamics as well as the neutrino signal is found to be negligible. It is mainly determined from the low- and intermediate-density domain, which is left unmodified within this generalized excluded volume approach. (orig.)

Effect of reinforcement volume fraction on the density & elastic ...

African Journals Online (AJOL)

Effect of reinforcement volume fraction on the density & elastic parameters of BMG's matrix composites. Wahiba Metiri 1, Fatiha Hadjoub1, 2 and Leila Touati Tliba 1. 1 Laboratoire des Semi-Conducteurs, Département de Physique, Faculté des Sciences, Université Badji-. Mokhtar, BP 12, Annaba -23000, Algeria.

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.

Solid hydrogen and deuterium. II. Pressure and compressibility calculated by a lowest-order constrained-variation method

International Nuclear Information System (INIS)

Pettersen, G.; Ostgaard, E.

1988-01-01

The pressure and the compressibility of solid H 2 and D 2 are obtained from ground-state energies calculated by means of a modified variational lowest order constrained-variation (LOCV) method. Both fcc and hcp structures are considered, but results are given for the fcc structure only. The pressure and the compressibility are calculated or estimated from the dependence of the ground-state energy on density or molar volume, generally in a density region of 0.65σ -3 to 1.3σ -3 , corresponding to a molar volume of 0.65σ -3 to 1.3σ -3 , corresponding to a molar volume of 12-24 cm 3 mole, where σ = 2.958 angstrom, and the calculations are done for five different two-body potentials. Theoretical results for the pressure are 340-460 atm for solid H 2 at a particle density of 0.82σ -3 or a molar volume of 19 cm 3 /mole, and 370-490 atm for solid 4 He at a particle density of 0.92σ -3 or a molar volume of 17 cm 3 /mole. The corresponding experimental results are 650 and 700 atm, respectively. Theoretical results for the compressibility are 210 times 10 -6 to 260 times 10 -6 atm -1 for solid H 2 at a particle density of 0.82σ -3 or a molar volume of 19 cm 3 /mole, and 150 times 10 -6 to 180 times 10 -6 atm -1 for solid D 2 at a particle density of 0.92σ -3 or a molar volume of 17 cm 3 mole. The corresponding experimental results are 180 times 10 -6 and 140 times 10 -6 atm -1 , respectively. The agreement with experimental results is better for higher densities

Whole-lung volume and density in spirometrically-gated inspiratory and expiratory CT in systemic sclerosis: correlation with static volumes at pulmonary function tests.

Science.gov (United States)

Camiciottoli, G; Diciotti, S; Bartolucci, M; Orlandi, I; Bigazzi, F; Matucci-Cerinic, M; Pistolesi, M; Mascalchi, M

2013-03-01

Spiral low-dose computed tomography (LDCT) permits to measure whole-lung volume and density in a single breath-hold. To evaluate the agreement between static lung volumes measured with LDCT and pulmonary function test (PFT) and the correlation between the LDCT volumes and lung density in restrictive lung disease. Patients with Systemic Sclerosis (SSc) with (n = 24) and without (n = 16) pulmonary involvement on sequential thin-section CT and patients with chronic obstructive pulmonary disease (COPD)(n = 29) underwent spirometrically-gated LDCT at 90% and 10% of vital capacity to measure inspiratory and expiratory lung volumes and mean lung attenuation (MLA). Total lung capacity and residual volume were measured the same day of CT. Inspiratory [95% limits of agreement (95% LoA)--43.8% and 39.2%] and expiratory (95% LoA -45.8% and 37.1%) lung volumes measured on LDCT and PFT showed poor agreement in SSc patients with pulmonary involvement, whereas they were in substantial agreement (inspiratory 95% LoA -14.1% and 16.1%; expiratory 95% LoA -13.5% and 23%) in SSc patients without pulmonary involvement and in inspiratory scans only (95% LoA -23.1% and 20.9%) of COPD patients. Inspiratory and expiratory LDCT volumes, MLA and their deltas differentiated both SSc patients with or without pulmonary involvement from COPD patients. LDCT lung volumes and density were not correlated in SSc patients with pulmonary involvement, whereas they did correlate in SSc without pulmonary involvement and in COPD patients. In restrictive lung disease due to SSc there is poor agreement between static lung volumes measured using LDCT and PFT and the relationship between volume and density values on CT is altered.

Effect of AlF3 on the Density and Elastic Properties of Zinc Tellurite Glass Systems

Science.gov (United States)

Sidek, Haji Abdul Aziz; Rosmawati, Shaharuddin; Halimah, Mohamed Kamari; Matori, Khamirul Amin; Talib, Zainal Abidin

2012-01-01

This paper presents the results of the physical and elastic properties of the ternary zinc oxyfluoro tellurite glass system. Systematic series of glasses (AlF3)x(ZnO)y(TeO2)z with x = 0–19, y = 0–20 and z = 80, 85, 90 mol% were synthesized by the conventional rapid melt quenching technique. The composition dependence of the physical, mainly density and molar volume, and elastic properties is discussed in term of the AlF3 modifiers addition that are expected to produce quite substantial changes in their physical properties. The absence of any crystalline peaks in the X-ray diffraction (XRD) patterns of the present glass samples indicates the amorphous nature. The addition of AlF3 lowered the values of the densities in ternary oxyfluorotellurite glass systems. The longitudinal and transverse ultrasonic waves propagated in each glass sample were measured using a MBS8020 ultrasonic data acquisition system. All the velocity data were taken at 5 MHz frequency and room temperature. The longitudinal modulus (L), shear modulus (G), Young’s modulus (E), bulk modulus (K) and Poisson’s ratio (σ) are obtained from both velocities data and their respective density. Experimental data shows the density and elastic moduli of each AlF3-ZnO-TeO2 series are found strongly depend upon the glass composition. The addition of AlF3 modifiers into the zinc tellurite causes substantial changes in their density, molar volume as well as their elastic properties.

［BMim］［HSO4］-H2SO4二组分物系密度的测定及相关热力学性质的研究%Density and thermodynamic properties of binary[BMim][HSO4]-H2SO4 system

Institute of Scientific and Technical Information of China (English)

张帅; 张涛; 唐盛伟

2016-01-01

在常压和283.15～313.15 K的温度范围内，测定了离子液体1-丁基-3-甲基咪唑硫酸氢盐（[BMim][HSO4]）与H2SO4二组分物系在全浓度范围内的密度，由密度数据计算了不同温度和浓度下混合物的超额摩尔体积（VE）和各组分的偏摩尔体积，基于半经验Zhang方程和NMSRK状态方程建立了二组分物系密度的预测模型。实验结果表明，两种模型的计算值与实验值具有较高的符合度，其平均绝对误差均不超过0.30%；在全浓度范围内二组分物系的VE均为正值，当xH2SO4=0.60时，物系的VE达到最大，最大值为2.46280 cm3/mol（313.15 K）；二组分物系中[BMim][HSO4]的偏摩尔体积随xH2SO4的增大而增大， H2SO4的偏摩尔体积随xH2SO4的增大而减小。%Under the conditions of ambient pressure and 283.15-313.15 K,the density of binary [BMim][HSO4]-H2SO4 systems with the molar fraction of H2SO4 of 0-1 was measured. Based on the obtained density data,the excess molar volume of the systems and the partial molar volumes of the two components at different temperature were calculated. The models for predicting the density of the binary systems were established by means of the semi-empirical Zhang model and NMSRK equation of state separately. It was showed that,the two models predict the density of the binary systems well with an average deviation of less than 0.30%. The excess molar volumes of all the measured binary systems were greater than zero and the maximum value of 2.462 80 cm3/mol was obtained under the conditions of molar fracton of H2SO4 0.60 and 313.15 K. In the binary systems,with increasing the molar fraction of H2SO4, the partial molar volume of[BMim][HSO4] increased while the partial molar volume of H2SO4 decreased.

A simple method to estimate restoration volume as a possible predictor for tooth fracture.

Science.gov (United States)

Sturdevant, J R; Bader, J D; Shugars, D A; Steet, T C

2003-08-01

Many dentists cite the fracture risk posed by a large existing restoration as a primary reason for their decision to place a full-coverage restoration. However, there is poor agreement among dentists as to when restoration placement is necessary because of the inability to make objective measurements of restoration size. The purpose of this study was to compare a new method to estimate restoration volumes in posterior teeth with analytically determined volumes. True restoration volume proportion (RVP) was determined for 96 melamine typodont teeth: 24 each of maxillary second premolar, mandibular second premolar, maxillary first molar, and mandibular first molar. Each group of 24 was subdivided into 3 groups to receive an O, MO, or MOD amalgam preparation design. Each preparation design was further subdivided into 4 groups of increasingly larger size. The density of amalgam used was calculated according to ANSI/ADA Specification 1. The teeth were weighed before and after restoration with amalgam. Restoration weight was calculated, and the density of amalgam was used to calculate restoration volume. A liquid pycnometer was used to calculate coronal volume after sectioning the anatomic crown from the root horizontally at the cementoenamel junction. True RVP was calculated by dividing restoration volume by coronal volume. An occlusal photograph and a bitewing radiograph were made of each restored tooth to provide 2 perpendicular views. Each image was digitized, and software was used to measure the percentage of the anatomic crown restored with amalgam. Estimated RVP was calculated by multiplying the percentage of the anatomic crown restored from the 2 views together. Pearson correlation coefficients were used to compare estimated RVP with true RVP. The Pearson correlation coefficient of true RVP with estimated RVP was 0.97 overall (Pvolume of restorative material in coronal tooth structure. The fact that it can be done in a nondestructive manner makes it attractive for

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

Volumetric properties of ternary (IL + 2-propanol or 1-butanol or 2-butanol + ethyl acetate) systems and binary (IL + 2-propanol or 1-butanol or 2-butanol) and (1-butanol or 2-butanol + ethyl acetate) systems

International Nuclear Information System (INIS)

Bahadur, Indra; Deenadayalu, Nirmala; Tywabi, Zikhona; Sen, Sabyasachi; Hofman, Tadeusz

2012-01-01

Highlights: ► Experimental densities were determined at T = (298.15, 303.15, and 313.15) K. ► IL: methyl trioctylammonium bis(trifluoromethylsulfonyl)imide was used. ► Virial Based Mixing Rule correlation of the binary excess molar volume data. ► Binary excess molar volume was both negative and positive. ► Ternary excess molar volume data was correlated with the Cibulka equation. - Abstract: The experimental densities for the binary or ternary systems were determined at T = (298.15, 303.15, and 313.15) K. The ionic liquid methyl trioctylammonium bis(trifluoromethylsulfonyl)imide ([MOA] + [Tf 2 N] − ) was used for three of the five binary systems studied. The binary systems were ([MOA] + [Tf 2 N] − + 2-propanol or 1-butanol or 2-butanol) and (1-butanol or 2-butanol + ethyl acetate). The ternary systems were {methyl trioctylammonium bis(trifluoromethylsulfonyl)imide + 2-propanol or 1-butanol or 2-butanol + ethyl acetate}. The binary and ternary excess molar volumes for the above systems were calculated from the experimental density values for each temperature. The Redlich–Kister smoothing polynomial was fitted to the binary excess molar volume data. Virial-Based Mixing Rules were used to correlate the binary excess molar volume data. The binary excess molar volume results showed both negative and positive values over the entire composition range for all the temperatures. The ternary excess molar volume data were successfully correlated with the Cibulka equation using the Redlich–Kister binary parameters.

Mineral density volume gradients in normal and diseased human tissues.

Directory of Open Access Journals (Sweden)

Sabra I Djomehri

Full Text Available Clinical computed tomography provides a single mineral density (MD value for heterogeneous calcified tissues containing early and late stage pathologic formations. The novel aspect of this study is that, it extends current quantitative methods of mapping mineral density gradients to three dimensions, discretizes early and late mineralized stages, identifies elemental distribution in discretized volumes, and correlates measured MD with respective calcium (Ca to phosphorus (P and Ca to zinc (Zn elemental ratios. To accomplish this, MD variations identified using polychromatic radiation from a high resolution micro-computed tomography (micro-CT benchtop unit were correlated with elemental mapping obtained from a microprobe X-ray fluorescence (XRF using synchrotron monochromatic radiation. Digital segmentation of tomograms from normal and diseased tissues (N=5 per group; 40-60 year old males contained significant mineral density variations (enamel: 2820-3095 mg/cc, bone: 570-1415 mg/cc, cementum: 1240-1340 mg/cc, dentin: 1480-1590 mg/cc, cementum affected by periodontitis: 1100-1220 mg/cc, hypomineralized carious dentin: 345-1450 mg/cc, hypermineralized carious dentin: 1815-2740 mg/cc, and dental calculus: 1290-1770 mg/cc. A plausible linear correlation between segmented MD volumes and elemental ratios within these volumes was established, and Ca/P ratios for dentin (1.49, hypomineralized dentin (0.32-0.46, cementum (1.51, and bone (1.68 were observed. Furthermore, varying Ca/Zn ratios were distinguished in adapted compared to normal tissues, such as in bone (855-2765 and in cementum (595-990, highlighting Zn as an influential element in prompting observed adaptive properties. Hence, results provide insights on mineral density gradients with elemental concentrations and elemental footprints that in turn could aid in elucidating mechanistic processes for pathologic formations.

Mineral Density Volume Gradients in Normal and Diseased Human Tissues

Science.gov (United States)

Djomehri, Sabra I.; Candell, Susan; Case, Thomas; Browning, Alyssa; Marshall, Grayson W.; Yun, Wenbing; Lau, S. H.; Webb, Samuel; Ho, Sunita P.

2015-01-01

Clinical computed tomography provides a single mineral density (MD) value for heterogeneous calcified tissues containing early and late stage pathologic formations. The novel aspect of this study is that, it extends current quantitative methods of mapping mineral density gradients to three dimensions, discretizes early and late mineralized stages, identifies elemental distribution in discretized volumes, and correlates measured MD with respective calcium (Ca) to phosphorus (P) and Ca to zinc (Zn) elemental ratios. To accomplish this, MD variations identified using polychromatic radiation from a high resolution micro-computed tomography (micro-CT) benchtop unit were correlated with elemental mapping obtained from a microprobe X-ray fluorescence (XRF) using synchrotron monochromatic radiation. Digital segmentation of tomograms from normal and diseased tissues (N=5 per group; 40-60 year old males) contained significant mineral density variations (enamel: 2820-3095mg/cc, bone: 570-1415mg/cc, cementum: 1240-1340mg/cc, dentin: 1480-1590mg/cc, cementum affected by periodontitis: 1100-1220mg/cc, hypomineralized carious dentin: 345-1450mg/cc, hypermineralized carious dentin: 1815-2740mg/cc, and dental calculus: 1290-1770mg/cc). A plausible linear correlation between segmented MD volumes and elemental ratios within these volumes was established, and Ca/P ratios for dentin (1.49), hypomineralized dentin (0.32-0.46), cementum (1.51), and bone (1.68) were observed. Furthermore, varying Ca/Zn ratios were distinguished in adapted compared to normal tissues, such as in bone (855-2765) and in cementum (595-990), highlighting Zn as an influential element in prompting observed adaptive properties. Hence, results provide insights on mineral density gradients with elemental concentrations and elemental footprints that in turn could aid in elucidating mechanistic processes for pathologic formations. PMID:25856386

Properties of pure n-butylammonium nitrate ionic liquid and its binary mixtures of with alcohols at T = (293.15 to 313.15) K

International Nuclear Information System (INIS)

Xu, Yingjie; Chen, Bin; Qian, Wu; Li, Haoran

2013-01-01

Highlights: ► Densities and viscosities of (N4NO 3 + alcohols) mixtures were measured. ► Coefficient of thermal expansion, molecular volume, standard entropy, and lattice energy were obtained. ► Excess molar volumes, viscosity deviations, and partial molar volumes were calculated. ► Redlich–Kister polynomial was used to correlate the excess properties. ► The intermolecular interactions between N4NO 3 and alcohols were analysed. -- Abstract: Values of the density and viscosity of the pure ionic liquid n-butylammonium nitrate (N4NO 3 ) and its binary mixtures with methanol, ethanol, 1-propanol, and 1-butanol were measured at temperature ranging from T = (293.15 to 313.15) K. The thermal expansion coefficient, molecular volume, standard entropy, and lattice energy of N4NO 3 were deduced from the experimental density results. The temperature dependence of the viscosity of N4NO 3 was fitted to the fluidity equation. Excess molar volumes V E and viscosity deviations Δη for the binary mixtures were calculated and fitted to the Redlich–Kister equation with satisfactory results. Both excess molar volumes and viscosity deviations show negative deviations for (N4NO 3 + alcohol) mixtures. The effect of the temperature and the size of the alcohol on the excess molar volumes and viscosity deviations are discussed and analysed. Other derived properties, such as the apparent molar volume, partial molar volume, excess partial molar volume, thermal expansion coefficient, and excess thermal expansion coefficient of the above-mentioned systems were also calculated

Density and viscosity of magnesium sulphate in formamide + ...

Indian Academy of Sciences (India)

MgSO4) in varying proportions of formamide (FA) + ethylene glycol as mixed solvents were measured at room temperature. The experimental values of and were used to calculate the values of the apparent molar volume, (), partial molar ...

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�

Volumetric and surface properties of pure ionic liquid n-octyl-pyridinium nitrate and its binary mixture with alcohol

International Nuclear Information System (INIS)

Jiang Haichao; Wang Jianying; Zhao Fengyun; Qi Guodi; Hu Yongqi

2012-01-01

Highlights: ► Density and surface tension of [Ocpy][NO 3 ] were measured. ► Thermal expansion coefficient, molecular volume, and standard entropies were obtained. ► The critical temperature and enthalpy of vaporization were discussed. ► Density and surface tension were measured for (ionic liquid + alcohols) mixtures. ► Excess molar volumes and surface tension deviations were fitted to Redlich–Kister equation. - Abstract: The density and surface tension for pure ionic liquid N-octyl-pyridinium nitrate were measured from (293.15 to 328.15) K. The coefficient of thermal expansion, molecular volume, standard entropies, and lattice energy were calculated from the experimental density values. The critical temperature, surface entropy, surface enthalpy, and enthalpy of vaporization were also studied from the experimental surface tension results. Density and surface tension were also determined for binary mixtures of (N-octyl-pyridinium nitrate + alcohol) (methanol, ethanol, and 1-butanol) systems over the whole composition range at 298.15 K and atmospheric pressure. Excess molar volumes and surface tension deviations for the binary systems have been calculated and were fitted to a Redlich–Kister equation to determine the fitting parameters and the root mean square deviations. The partial molar volume, excess partial molar volume, and apparent molar volume of the component IL and alcohol in the binary mixtures were also discussed.

Measurement of regional extravascular lung density and of pulmonary blood volume with positron emitting isotopes

Energy Technology Data Exchange (ETDEWEB)

Larock, M.P.; Quaglia, L.; Lamotte, D.; De Landsheere, C.; Del Fiore, G.; Chevigne, M.; Peters, J.M.; Rigo, P. (Universite de Liege (Belgium))

1982-01-01

Studies of pulmonary blood volume changes with exercise can be performed after labelling of the blood pool by /sup 11/CO inhalation. Positron transaxial tomography permits the quantitative study of density distribution of the chest and of the pulmonary blood volume. This paper represents our preliminary experience with these techniques on models and control patients. We have first verified the linearity of transmission for density distribution below one. The tomographic examination first records a transmission image, then an emission image on the same section. We next normalize emission and transmission values on a region of unit density corresponding to blood: then we substract the emission from the transmission values to measure the extravascular pulmonary density. With crystal probes we record pulmonary blood volume variations before, during and after exercise. Peripheral hemodynamic variations explain the change recorded at the begining and at the end of exercise. Combination of these two techniques should help us to better study the importance of the acute changes in the ''formation'' of pulmonary oedema and its influence on regional pulmonary blood volume.

Volumetric properties of the (tetrahydrofuran + water) and (tetra-n-butyl ammonium bromide + water) systems: Experimental measurements and correlations

International Nuclear Information System (INIS)

Belandria, Veronica; Mohammadi, Amir H.; Richon, Dominique

2009-01-01

In this communication, we report experimental density data for the binary mixtures of (water + tetrahydrofuran) and (water + tetra-n-butyl ammonium bromide) at atmospheric pressure and various temperatures. The densities were measured using an Anton Paar TM digital vibrating-tube densimeter. For the (tetrahydrofuran + water) system, excess molar volumes have been calculated using the experimental densities and correlated using the Redlich-Kister equation. The Redlich-Kister equation parameters have been adjusted on experimental results. The partial molar volumes and partial excess molar volumes at infinite dilution have also been calculated for each component. A simple density equation was finally applied to correlate the measured density of the (tetra-n-butyl ammonium bromide + water) system.

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...

[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.

Impact of particle density and initial volume on mathematical compression models

DEFF Research Database (Denmark)

Sonnergaard, Jørn

2000-01-01

In the calculation of the coefficients of compression models for powders either the initial volume or the particle density is introduced as a normalising factor. The influence of these normalising factors is, however, widely different on coefficients derived from the Kawakita, Walker and Heckel...... equations. The problems are illustrated by investigations on compaction profiles of 17 materials with different molecular structures and particle densities. It is shown that the particle density of materials with covalent bonds in the Heckel model acts as a key parameter with a dominating influence...

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.

[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.

Volumetric properties of (piperidine + water) binary system: Measurements and modeling

International Nuclear Information System (INIS)

Afzal, Waheed; Valtz, Alain; Coquelet, Christophe; Richon, Dominique

2008-01-01

Densities of pure piperidine (CAS No.: 110-89-4) and of its mixtures with water have been measured over the whole range of compositions at temperatures from 283.15 K to 347.15 K using Anton Paar TM digital vibrating tube densimeter. The density of this system has been found increasing with mass fraction of water. Excess molar volumes have been calculated using the measured experimental densities and correlated using the Redlich-Kister equation. Redlich-Kister equation parameters have been adjusted on experimental data. In addition, partial molar volumes and partial excess molar volumes at infinite dilution have been calculated for each component

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

PROPIEDADES VOLUMÉTRICAS DE LA DL-ALANINA EN SOLUCIONES ACUOSAS DE TETRAFLUOROBORATO DE 1-BUTIL, 3-METILIMIDAZOLIO A DIFERENTES TEMPERATURAS

OpenAIRE

Páez, Manuel S.; Páez, Francisco J.; Torres, Francisco J.

2016-01-01

Densities of DL-alanine in aqueous ionic liquid, 1-butyl, 3-methylimidazolium tetrafluoroborate solutions were measured from 283.15 to 313.15 K. The densities measured were used to calculate apparent molar volumes (VΦ), apparent molar volume limits (VΦ0), transfer molar volume limits (ΔVΦ0) and hydration number (NH). The behavior of (ΔVΦ0) was interpreted in terms of solute-solvent interactions on the basis of the cosphere overlap model. The hydration numbers were positive and explained by de...

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.

Volume Adjustment of Lung Density by Computed Tomography Scans in Patients with Emphysema

International Nuclear Information System (INIS)

Shaker, S.B.; Dirksen, A.; Laursen, L.C.; Skovgaard, L.T.; Holstein-Rathlou, N.H.

2004-01-01

Purpose: To determine how to adjust lung density measurements for the volume of the lung calculated from computed tomography (CT) scans in patients with emphysema. Material and Methods: Fifty patients with emphysema underwent 3 CT scans at 2-week intervals. The scans were analyzed with a software package that detected the lung in contiguous images and subsequently generated a histogram of the pixel attenuation values. The total lung volume (TLV), lung weight, percentile density (PD), and relative area of emphysema (RA) were calculated from this histogram. RA and PD are commonly applied measures of pulmonary emphysema derived from CT scans. These parameters are markedly influenced by changes in the level of inspiration. The variability of lung density due to within-subject variation in TLV was explored by plotting TLV against PD and RA. Results: The coefficients for volume adjustment for PD were relatively stable over a wide range from the 10th to the 80th percentile, whereas for RA the coefficients showed large variability especially in the lower range, which is the most relevant for quantitation of pulmonary emphysema. Conclusion: Volume adjustment is mandatory in repeated CT densitometry and is more robust for PD than for RA. Therefore, PD seems more suitable for monitoring the progression of emphysema

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.

Volumetric behaviour of the (2,2,4-trimethylpentane + methylbenzene + butan-1-ol) ternary system and its binary sub-systems within the temperature range (298.15–328.15) K

International Nuclear Information System (INIS)

Morávková, Lenka; Troncoso, Jacobo; Machanová, Karolina; Sedláková, Zuzana

2013-01-01

Highlights: • Density measurements. • Excess molar volume at atmospheric pressure. • Redlich–Kister equation. • ERAS model. • Comparison of our data with literature data. -- Abstract: Densities and speeds of sound of the (2,2,4-trimethylpentane + methylbenzene + butan-1-ol) ternary system as well as all its binary sub-systems were measured at four temperatures, namely 298.15 K, 308.15 K, 318.15 K, and 328.15 K at atmospheric pressure by a vibrating-tube densimeter DSA 5000. The binary (isooctane + toluene) system was studied previously. Excess quantities (molar volume, adiabatic compressibility, and isobaric thermal expansivity) of the mixtures studied were calculated from the experimental densities and speed of sounds. The excess molar volume data were correlated using the Redlich–Kister equation. Both the positive and S-shaped excess molar volume curves were found for the systems studied. The excess molar volumes versus concentration of binary systems differed in the shape and temperature dependence. The experimental binary data were compared with literature data. The experimental excess molar volumes were analyzed by means of the Extended Real Associated Solution (ERAS) model. The experimental data and the ERAS model can help to estimate real behaviour of the systems studied

PROPIEDADES VOLUMÉTRICAS DE LA DL-ALANINA EN SOLUCIONES ACUOSAS DE TETRAFLUOROBORATO DE 1-BUTIL, 3-METILIMIDAZOLIO A DIFERENTES TEMPERATURAS

Directory of Open Access Journals (Sweden)

Manuel S. Páez

2016-06-01

Full Text Available Densities of DL-alanine in aqueous ionic liquid, 1-butyl, 3-methylimidazolium tetrafluoroborate solutions were measured from 283.15 to 313.15 K. The densities measured were used to calculate apparent molar volumes (VΦ, apparent molar volume limits (VΦ0, transfer molar volume limits (ΔVΦ0 and hydration number (NH. The behavior of (ΔVΦ0 was interpreted in terms of solute-solvent interactions on the basis of the cosphere overlap model. The hydration numbers were positive and explained by dehydration and electrostriction.

Densities, isobaric thermal compressibilities and derived thermodynamic properties of the binary systems of cyclohexane with allyl methacrylate, butyl methacrylate, methacrylic acid, and vinyl acetate at t = (298.15 and 308.15) K

Energy Technology Data Exchange (ETDEWEB)

Wisniak, Jaime [Department of Chemical Engineering, Ben-Gurion University of the Negev, Beer-Sheva 84105 (Israel)]. E-mail: wisniak@bgumail.bgu.ac.il; Peralta, Rene D. [Centro de Investigacion en Quimica Aplicada, Saltillo 25100, Coahuila (Mexico); Infante, Ramiro [Centro de Investigacion en Quimica Aplicada, Saltillo 25100, Coahuila (Mexico); Cortez, Gladis [Centro de Investigacion en Quimica Aplicada, Saltillo 25100, Coahuila (Mexico); Lopez, R.G. [Centro de Investigacion en Quimica Aplicada, Saltillo 25100, Coahuila (Mexico)

2005-10-15

Densities of the binary systems of cyclohexane with allyl methacrylate, butyl methacrylate, methacrylic acid, and vinyl acetate have been measured as a function of the composition, at 298.15 and 308.15 K and atmospheric pressure, using an Anton Paar DMA 5000 oscillating U-tube densimeter. The calculated excess molar volumes were correlated with the Redlich-Kister equation and with a series of Legendre polynomials. The excess molar volumes are positive for the four binaries studied. Within the short temperature range considered here the coefficient of thermal expansion is positive for all the systems studied; it varies only slightly with the nature of the acrylate except for the system cyclohexane + vinyl acetate.

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.

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.

Density of Na2O-Li2O-SiO2-B2O3 Molten Slag at 1 803-1 873 K

Institute of Scientific and Technical Information of China (English)

XIAO Feng; FANG Liang

2004-01-01

The density of three kinds of molten slags was measured by modified sessile drop method at 1 803-1 873 K. The density of molten slag is found to decrease with increasing temperature. The temperature coefficients of Na2O-Li2O-SiO2 and Li2O-SiO2-B2O3 slag are smaller than that of Na2O-B2O3 slag. The molar volume of slags increases with increasing temperature.

Volume adjustment of lung density by computed tomography scans in patients with emphysema

DEFF Research Database (Denmark)

Shaker, S B; Dirksen, A; Laursen, Lars Christian

2004-01-01

of pulmonary emphysema derived from CT scans. These parameters are markedly influenced by changes in the level of inspiration. The variability of lung density due to within-subject variation in TLV was explored by plotting TLV against PD and RA. RESULTS: The coefficients for volume adjustment for PD were...... relatively stable over a wide range from the 10th to the 80th percentile, whereas for RA the coefficients showed large variability especially in the lower range, which is the most relevant for quantitation of pulmonary emphysema. CONCLUSION: Volume adjustment is mandatory in repeated CT densitometry......PURPOSE: To determine how to adjust lung density measurements for the volume of the lung calculated from computed tomography (CT) scans in patients with emphysema. MATERIAL AND METHODS: Fifty patients with emphysema underwent 3 CT scans at 2-week intervals. The scans were analyzed with a software...

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

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.

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

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.

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.

Are Hypomineralized Primary Molars and Canines Associated with Molar-Incisor Hypomineralization?

Science.gov (United States)

da Silva Figueiredo Sé, Maria Jose; Ribeiro, Ana Paula Dias; Dos Santos-Pinto, Lourdes Aparecida Martins; de Cassia Loiola Cordeiro, Rita; Cabral, Renata Nunes; Leal, Soraya Coelho

2017-11-01

The purpose of this study was to evaluate the prevalence of and relationship between hypomineralized second primary molars (HSPM) and hypomineralized primary canines (HPC) with molar-incisor hypomineralization (MIH) in 1,963 schoolchildren. The European Academy of Paediatric Dentistry (EAPD) criterion was used for scoring HSPM/HPC and MIH. Only children with four permanent first molars and eight incisors were considered in calculating MIH prevalence (n equals 858); for HSPM/HPC prevalence, only children with four primary second molars (n equals 1,590) and four primary canines (n equals 1,442) were considered. To evaluate the relationship between MIH/HSPM, only children meeting both criteria cited were considered (n equals 534), as was true of MIH/HPC (n equals 408) and HSPM/HPC (n equals 360; chi-square test and logistic regression). The prevalence of MIH was 14.69 percent (126 of 858 children). For HSPM and HPC, the prevalence was 6.48 percent (103 of 1,592) and 2.22 percent (32 of 1,442), respectively. A significant relationship was observed between MIH and both HSPM/HPC (PMIH based on HSPM was 6.31 (95 percent confidence interval [CI] equals 2.59 to 15.13) and for HPC was 6.02 (95 percent CI equals 1.08 to 33.05). The results led to the conclusion that both hypomineralized second primary molars and hypomineralized primary canines are associated with molar-incisor hypomineralization, because children with HSPM/HPC are six times more likely to develop MIH.

The Density and Compressibility of BaCO3-SrCO3-CaCO3-K2CO3-Na2CO3-Li2CO3 Liquids: New Measurements and a Systematic Trend with Cation Field Strength

Science.gov (United States)

Hurt, S. M.; Lange, R. A.; Ai, Y.

2015-12-01

The volumetric properties of multi-component carbonate liquids are required to extend thermodynamic models that describe partial melting of the deep mantle (e.g. pMELTS; Ghiorso et al., 2003) to carbonate-bearing lithologies. Carbonate in the mantle is an important reservoir of carbon, which is released to the atmosphere as CO2 through volcanism, and thus contributes to the carbon cycle. Although MgCO3 is the most important carbonate component in the mantle, it is not possible to directly measure the 1-bar density and compressibility of MgCO3 liquid because, like other alkaline-earth carbonates, it decomposes at a temperature lower than its melting temperature. Despite this challenge, Liu and Lange (2003) and O'Leary et al. (2015) showed that the one bar molar volume, thermal expansion and compressibility of the CaCO3 liquid component could be obtained by measuring the density and sound speeds of stable liquids in the CaCO3-Li2CO3-Na2CO3-K2CO3 quaternary system at one bar. In this study, this same strategy is employed on SrCO3- and BaCO3-bearing alkali carbonate liquids. The density and sound speed of seven liquids in the SrCO3-Li2CO3-Na2CO3-K2CO3 quaternary and three liquids in the BaCO3-Li2CO3-Na2CO3-K2CO3 quaternary were measured from 739-1367K, with SrCO3 and BaCO3 concentrations ranging from 10-50 mol%. The density measurements were made using the double-bob Archimedean method and sound speeds were obtained with a frequency-sweep acoustic interferometer. The molar volume and sound speed measurements were used to calculate the isothermal compressibility of each liquid, and the results show the volumetric properties mix ideally with composition. The partial molar volume and compressibility of the SrCO3 and BaCO3 components are compared to those obtained for the CaCO3 component as a function of cation field strength. The results reveal a systematic trend that allows the partial molar volume and compressibility of the MgCO3 liquid component to be estimated.

The volumetric and thermochemical properties of YCl{sub 3}(aq), YbCl{sub 3}(aq), DyCl{sub 3}(aq), SmCl{sub 3}(aq), and GdCl{sub 3}(aq) at T=(288.15, 298.15, 313.15, and 328.15) K and p=0.1 MPa[Trivalent metal chlorides; Densities; Heat capacities; Single ion properties; Calorimetry; Densimetry

Energy Technology Data Exchange (ETDEWEB)

Hakin, Andrew W. E-mail: hakin@uleth.ca; Lukacs, Michael J.; Liu, Jin Lian; Erickson, Kristy

2003-11-01

Relative densities and massic heat capacities have been measured for acidified aqueous solutions of YCl{sub 3}(aq), YbCl{sub 3}(aq), DyCl{sub 3}(aq), SmCl{sub 3}(aq), and GdCl{sub 3}(aq) at T=(288.15, 298.15, 313.15, and 328.15) K and p=0.1 MPa. These measurements have been used to calculate experimental apparent molar volumes and heat capacities which, when used in conjunction with Young's rule, were used to calculate the apparent molar properties of the aqueous chloride salt solutions. The latter calculations required the use of volumetric and thermochemical data for aqueous solutions of hydrochloric acid that have been previously reported in the literature. The concentration dependences of the apparent molar properties have been modeled using Pitzer ion interaction equations to yield apparent molar volumes and heat capacities at infinite dilution. The temperature and concentration dependences of the apparent molar volumes and heat capacities of each trivalent salt system were modeled using modified Pitzer ion interaction equations. These equations utilized the revised Helgeson, Kirkham, and Flowers equations of state to model the temperature dependences of apparent molar volumes and heat capacities at infinite dilution. Calculated apparent molar volumes and heat capacities at infinite dilution have been used to calculate single ion properties for the investigated trivalent metal cations. These values have been compared to those previously reported in the literature. The differences between single ion values calculated in this study and those values calculated from thermodynamic data for aqueous perchlorate salts are also discussed.

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.

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

Densities, speeds of sound and viscosities of binary mixtures of tetrahydrofuran with 1-hexanol, 1-octanol and 1-decanol at T = (298.15 to 313.15) K

International Nuclear Information System (INIS)

Dubey, Gyan Prakash; Kumar, Rajiv

2014-01-01

Highlights: • Thermodynamic study for the binary liquid mixtures has been made. has been made. • Excess molar volumes, deviations of speed of sound and excess molar isentropic compressibilities were determined. • Discussion has been carried out on the basis of types of interactions between the liquid molecules based on derived properties. -- Abstract: Density ρ, and speed of sound u, have been measured for the binary mixtures of tetrahydrofuran (C 4 H 8 O) with 1-hexanol, (C 6 H 14 O), 1-octanol, (C 8 H 18 O) and 1-decanol, (C 10 H 22 O) over the entire composition range at T = (298.15, 303.15, 308.15 and 313.15) K and at atmospheric pressure while viscosity, η was measured at T = (298.15, 303.15, 308.15) K and at atmospheric pressure. The experimental density and speed of sound values were used to calculate the excess molar volumes VmE, deviations in speed of sound u D and excess molar isentropic compressibility K S,m E , while the viscosity data were used to compute excess Gibbs energy of activation of viscous flow, ΔG *E at 298.15, 303.15 and 308.15 K. The values of VmE, u D and K S,m E were fitted to the Redlich–Kister polynomial equation and the viscosity data have been correlated by using the equations of Grunberg–Nissan, Tamura–Kurata, Hind et al., Heric–Brewer (three parameter) and McAllister (four body interactions) and have been used to discuss the presence of significant interactions between cyclic ether and alcohols

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

Densities and viscosities for ionic liquids mixtures containing [eOHmim][BF4], [bmim][BF4] and [bpy][BF4

International Nuclear Information System (INIS)

Song, Dayong; Chen, Jing

2014-01-01

Highlights: • Targets of this research are ILs mixtures. • Densities and viscosities were measured for three ILs mixtures. • Excess molar properties were deduced from the experiments. • Viscosities were discussed by the ideal Grunberg and Nissan mixing law. - Abstract: Densities and viscosities of binary ionic liquids mixtures, 1-(2-hydroxyethyl)-3-methylimidazolium tetrafluoroborate ([eOHmim][BF 4 ]) + 1-butyl-3-methylimidazolium tetrafluoroborate ([bmim][BF 4 ]), 1-(2-hydroxyethyl)-3-methylimidazolium tetrafluoroborate ([eOHmim][BF 4 ]) + N-butylpyridinium tetrafluoroborate ([bpy][BF 4 ]) and 1-butyl-3-methylimidazolium tetrafluoroborate ([bmim][BF 4 ]) + N-butylpyridinium tetrafluoroborate ([bpy][BF 4 ]) were measured over the entire mole fraction from T = (298.15 to 343.15) K. The excess molar volumes were calculated and correlated by Redlich–Kiser polynomial expansions. The viscosities for pure ionic liquids were analyzed by means of the Vogel–Tammann–Fulcher equation and ideal mixing rules were applied for the ILs mixtures

Density and electrical conductivity of molten salts. Comparative study of binary mixtures of alkali nitrates with silver nitrate and with thallium nitrate

International Nuclear Information System (INIS)

Brillant, S.

1968-01-01

The choice of methods and the number of measurements made enable us to give results on the density and electrical conductivity of molten binary mixtures, alkali nitrate and silver nitrate, and alkali nitrate and thallium nitrate, in the form of equations. The deviations from linearity of the volume and the molar conductivity are determined by calculating the corresponding excess values whose variations are analyzed as a function of the Tobolsky parameter. The absence of any relationship in the sign of the entropy and the excess volume is justified. It is shown that the silver and thallium nitrates, in contrast to the thermodynamic properties, behave as the alkali nitrates in so far as the excess conductivity is concerned. This result is confirmed by the study of changes in the activation enthalpy for the partial molar conductivity; this study also shows the particular behaviour of lithium nitrate. (author) [fr

Hydrophobic and low density silica aerogels dried at ambient pressure using TEOS precursor

International Nuclear Information System (INIS)

Gurav, Jyoti L.; Rao, A. Venkateswara; Bangi, Uzma K.H.

2009-01-01

In the conventional ambient pressure drying of silica aerogels, tedious repetitive gel washing and solvent exchange steps (∼6 days) are involved. Therefore, in the present studies, we intended to reduce the processing time of TEOS based ambient pressure dried silica aerogels. Solvents such as methanol, hexane and Hexamethyldisilazane (HMDZ) as surface chemical modification agents have been used. To get good quality aerogels in terms of low density, high porosity, high contact angle and low volume shrinkage in less processing time, we varied MeOH/TEOS, HMDZ/TEOS molar ratios, oxalic acid (A) and NH 4 OH (B) concentrations and stirring time from 1 to 27.7, 0.34 to 2.1, 0 to 0.1 M, 0 to 2 M and 15 to 90 min respectively. The transparent and low-density aerogels were obtained for TEOS:MeOH:acidic H 2 O:basic H 2 O:HMDZ molar ratio of 1:16.5:0.81:0.50:0.681 respectively. The thermal stability and hydrophobicity have been confirmed with Thermogravimetric and Differential Thermal (TG-DT) analyses and Fourier Transform Infrared Spectroscopy. Microstructural study was carried out by Scanning Electron Microscopy (SEM)

Extrações de molares na Ortodontia Molar extractions in orthodontics

Directory of Open Access Journals (Sweden)

Marco Antônio Schroeder

2011-12-01

Full Text Available O tratamento ortodôntico com extração de molares em pacientes adultos é tecnicamente mais complexo, devido a inúmeros fatores. Em geral, o espaço a ser fechado é maior do que o espaço dos pré-molares e, por isso, a ancoragem é crítica e o tempo de tratamento mais longo. É comum esses casos apresentarem algum grau de comprometimento periodontal por causa da idade dos pacientes e, portanto, necessitam de maior controle da mecânica ortodôntica para reduzir os efeitos colaterais do fechamento do espaço. Por isso, bons resultados de finalização são mais difíceis de ser alcançados. Sendo assim, este artigo tem como objetivo apresentar as razões para a indicação de extração de molares nos tratamentos ortodônticos, as contraindicações, as diferentes fases da mecânica ortodôntica, esclarecer os fatores envolvidos nesse tipo de planejamento e tratamento e apresentar casos clínicos tratados com extração de molares.Orthodontic treatment with extraction of molars in adult patients is technically more complex due to a number of factors. In general, the space to be closed is greater than premolar spaces rendering critical anchorage and longer treatment time. Often such cases exhibit some degree of periodontal involvement due to patient age. Hence, the need for greater control over orthodontic mechanics to reduce the side effects of space closure. Therefore, good finishing results can be more difficult to achieve. Thus, the purpose of this article is to determine the reasons for molar extraction indications, describe different stages of orthodontic mechanics, and explain the issues involved in this kind of planning and treatment. Additionally, it aims at describing some treatments with molar extractions.

Porosity, Bulk Density, and Volume Reduction During Drying: Review of Measurement Methods and Coefficient Determinations

NARCIS (Netherlands)

Qiu, J.; Khalloufi, S.; Martynenko, A.; Dalen, van G.; Schutyser, M.A.I.; Almeida-Rivera, C.

2015-01-01

Several experimental methods for measuring porosity, bulk density and volume reduction during drying of foodstuff are available. These methods include among others geometric dimension, volume displacement, mercury porosimeter, micro-CT, and NMR. However, data on their accuracy, sensitivity, and

Thermodynamic study on some alkanediol solutions: Measurement and modeling

Energy Technology Data Exchange (ETDEWEB)

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

2013-06-10

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

The density, compressibility and seismic velocity of hydrous melts at crustal and upper mantle conditions

Science.gov (United States)

Ueki, K.; Iwamori, H.

2015-12-01

Various processes of subduction zone magmatism, such as upward migration of partial melts and fractional crystallization depend on the density of the hydrous silicate melt. The density and the compressibility of the hydrous melt are key factors for the thermodynamic calculation of phase relation of the hydrous melt, and the geophysical inversion to predict physicochemical conditions of the melting region based on the seismic velocity. This study presents a new model for the calculations of the density of the hydrous silicate melts as a function of T, P, H2O content and melt composition. The Birch-Murnaghan equation is used for the equation of state. We compile the experimentally determined densities of various hydrous melts, and optimize the partial molar volume, compressibility, thermal expansibility and its pressure derivative, and K' of the H2O component in the silicate melt. P-T ranges of the calibration database are 0.48-4.29 GPa and 1033-2073 K. As such, this model covers the P-T ranges of the entire melting region of the subduction zone. Parameter set provided by Lange and Carmichael [1990] is used for the partial molar volume and KT value of the anhydrous silicate melt. K' of anhydrous melt is newly parameterized as a function of SiO2 content. The new model accurately reproduces the experimentally determined density variations of various hydrous melts from basalt to rhyolite. Our result shows that the hydrous melt is more compressive and less dense than the anhydrous melt; with the 5 wt% of H2O in melt, density and KT decrease by ~10% and ~30% from those of the anhydrous melt, respectively. For the application of the model, we calculated the P-wave velocity of the hydrous melt. With the 5 wt% of H2O, P-wave velocity of the silicate melt decreases by >10%. Based on the melt P-wave velocity, we demonstrate the effect of the melt H2O content on the seismic velocity of the partially molten zone of the subduction zone.

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)

Density and atomic volume in liquid Al-Fe and Al-Ni binary alloys

Energy Technology Data Exchange (ETDEWEB)

Plevachuk, Yu. [Ivan Franko National Univ., Lviv (Ukraine). Dept. of Metal Physics; Egry, I.; Brillo, J.; Holland-Moritz, D. [Deutsches Zentrum fuer Luft- und Raumfahrt, Koeln (Germany). Inst. fuer Raumsimulation; Kaban, I. [Chemnitz Univ. of Technolgy (Germany). Inst. of Physics

2007-02-15

The density of liquid Al-Fe and Al-Ni binary alloys have been determined over a wide temperature range by a noncontact technique combining electromagnetic levitation and optical dilatometry. The temperature and composition dependences of the density are analysed. A negative excess volume correlates with the negative enthalpy of mixing, compound forming ability and chemical short-range ordering in liquid Al-Fe and Al-Ni alloys. (orig.)

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,

Prevalent of root resorption of second molar adjustment the impacted third molar in prepiacal and panoramic radiographs

Directory of Open Access Journals (Sweden)

Mohammad Ebrahimi Saravi

2013-10-01

Full Text Available   Background and Aims: Impacted third molar reduces the bone level in the distal aspect of second molar, and sometimes it can lead to root resorption of the adjacent tooth. The purpose of this study was to determine this resorption using panoramic and periapical radiographs.   Materials and Methods: In this cross-sectional descriptive study 54 patient (28 men, 26 women above 15 years old with the average of 22 years in Oral and Maxillofacial Department of Tehran University were studied. A periapical radiography from the third molar and a panoramic radiograph were taken from each patient (Because of their routine use and evaluation of accuracy of panoramic compared with periapical, and the magnitude of the root resorption for the second molar was determined by 2 observers and written in a questionnaire. Data were analyzed using Fisher test.   Results: The prevalence of the root resorption of the second molar adjacent to the impacted third molar in the panoramic and the periapical radiographies, with respect to the limitation of the sample size were 46.3% and 31.5%, respectively, with 95% confidence(P>0.05. Most of these resorptions were in the cervical third of the second molar roots and in cases in which the third molars were mesially oriented or horizontal. There was also no significant difference between panoramic and periapical radiographs.   Conclusion: Due to the increased risk of the resorption of the second molar adjacent to the third molar, extraction of the impacted third molars, especiall y mesially oriented or horizontal ones are recommended.

Autotransplantation of Mandibular Third Molar with Buccal Cortical Plate to Replace Vertically Fractured Mandibular Second Molar: A Novel Technique.

Science.gov (United States)

Zufía, Juan; Abella, Francesc; Trebol, Ivan; Gómez-Meda, Ramón

2017-09-01

Tooth replacement often leads to inadequate vertical volume in the recipient site bone when a tooth has been extracted because of a vertical root fracture (VRF). This case report presents the autotransplantation of a mandibular third molar (tooth #32) with the attached buccal cortical plate to replace a mandibular second molar (tooth #31) diagnosed with a VRF. After extraction of tooth #31, the recipient socket was prepared based on the size measured in advance with cone-beam computed tomographic imaging. The precise and calculated osteotomy of the cortical bone of tooth #32 allowed for the exact placement of the donor tooth in the position of tooth #31. The total extraoral time was only 25 minutes. The block was fixed to the recipient socket with an osteosynthesis screw and splinted with a double resin wire for 8 weeks. At the 6-month follow-up, the screw was removed, and the stability of the tooth and the regeneration obtained throughout the vestibular area were confirmed. At the 2-year follow-up, the transplanted tooth was asymptomatic and maintained a normal bone level. Advantages of autotransplantation over dental implants include maintenance of proprioception, possible orthodontic movements, and a relatively low cost. This case report demonstrates that an autotransplantation of a third molar attached to its buccal cortical plate is a viable option to replace teeth with a VRF. Copyright © 2017 American Association of Endodontists. Published by Elsevier Inc. All rights reserved.

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.

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.

A new approach to determine the density of liquids and solids without measuring mass and volume: introducing the solidensimeter

Science.gov (United States)

Kiriktaş, Halit; Şahin, Mehmet; Eslek, Sinan; Kiriktaş, İrem

2018-05-01

This study aims to design a mechanism with which the density of any solid or liquid can be determined without measuring its mass and volume in order to help students comprehend the concept of density more easily. The solidensimeter comprises of two scaled and nested glass containers (graduated cylinder or beaker) and sufficient water. In this method, the density measurement was made using the Archimedes’ principle stating that an object fully submerged in a liquid displaces the same amount of liquid as its volume, while an object partially submerged or floating displaces the same amount of liquid as its mass. Using this method, the density of any solids or liquids can be determined using a simple mathematical ratio. At the end of the process a mechanism that helps students to comprehend the density topic more easily was designed. The system is easy-to-design, uses low-cost equipment and enables one to determine the density of any solid or liquid without measuring its mass and volume.

Experimental study of the density of the helium-nitrogen gas system at low temperatures.

Science.gov (United States)

Milyutin, V. A.

2017-11-01

At the Department of TOT, an experimental setup was created to measure the density of a binary gas system from 100 to 300 K and pressures up to 16 MPa and with any mixture compositions. Experimental density for the helium-nitrogen system were determined by the piezometer of constant volume method. The amount of substance in the piezometer was measured by volumetric method. In this setup, the mixture of He - N2 was prepared in a special mixer for a series of p-v-T experiments, the concentration was determined by calculation using the equations of state of pure components. In the experiment, mixtures were prepared with molar concentrations, lying close to the range: 0.2, 0.4, 0.6 and 0.8.

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.

Indirect measurement of lung density and air volume from electrical impedance tomography (EIT) data.

Science.gov (United States)

Nebuya, Satoru; Mills, Gary H; Milnes, Peter; Brown, Brian H

2011-12-01

This paper describes a method for estimating lung density, air volume and changes in fluid content from a non-invasive measurement of the electrical resistivity of the lungs. Resistivity in Ω m was found by fitting measured electrical impedance tomography (EIT) data to a finite difference model of the thorax. Lung density was determined by comparing the resistivity of the lungs, measured at a relatively high frequency, with values predicted from a published model of lung structure. Lung air volume can then be calculated if total lung weight is also known. Temporal changes in lung fluid content will produce proportional changes in lung density. The method was implemented on EIT data, collected using eight electrodes placed in a single plane around the thorax, from 46 adult male subjects and 36 adult female subjects. Mean lung densities (±SD) of 246 ± 67 and 239 ± 64 kg m(-3), respectively, were obtained. In seven adult male subjects estimates of 1.68 ± 0.30, 3.42 ± 0.49 and 4.40 ± 0.53 l in residual volume, functional residual capacity and vital capacity, respectively, were obtained. Sources of error are discussed. It is concluded that absolute differences in lung density of about 30% and changes over time of less than 30% should be detected using the current technology in normal subjects. These changes would result from approximately 300 ml increase in lung fluid. The method proposed could be used for non-invasive monitoring of total lung air and fluid content in normal subjects but needs to be assessed in patients with lung disease.

Apparent molal volumes of symmetrical and asymmetrical isomers of tetrabutylammonium bromide in water at several temperatures

International Nuclear Information System (INIS)

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

2014-01-01

Highlights: • Apparent molal volumes of five isomers of Bu 4 NBr in water have been measured. • The structural effect of branched and linear chains is discussed. • The structural contributions to the ionic volume were calculated. -- Abstract: Apparent molal volumes of a series of differently substituted quaternary ammonium bromides, namely tetra-iso-butyl-, tetra-sec-butyl-, tetra-n-butyl-, di-n-butyl-di-sec-butyl- and di-n-butyl-di-iso-butylammonium bromide have been determined as a function of molal concentration at (298.15, 303.15 and 308.15) K. Partial molar volumes at infinite dilution and ionic molar volumes of these quaternary ammonium cations were determined. Structural volume contributions to the ionic molar volume were also calculated. The symmetric and asymmetric quaternary ammonium cations are “structure making” ions. The contribution of the branched butyl chains predominates over the linear butyl chains in the asymmetric cations