Thermal pressure and energy–volume coefficients for the acetonitrile + water system

Grant-Taylor, David F.; Macdonald, Digby D.

doi:10.1139/v76-398

Cited by 56 publications

(22 citation statements)

References 8 publications

(17 reference statements)

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“…The density of this drop of solvent is 0.87 g/cm, which is comparable with the literature data for acetonitrile-water mixture of a given mass fraction at 298.15 K [49][50][51][52][53].…”

Section: Model Of Solvent Dropsupporting

confidence: 87%

Modeling solvation on the chemically modified silica surfaces

Buszewski

Bocian

Nowaczyk

2010

J of Separation Science

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A detailed molecular-level description of the retention mechanism in RP-HPLC is a point of great interest to analytical chemists. For this purpose, the solvent adsorption on the octadecyl stationary-bonded phase was investigated. Preferential adsorption of solvents from the acetonitrile-water mobile phase was modeled on the silica surface with one, two, three and four organic ligands, which represents a series of non-end-capped-bonded phases with different coverage density of bonded ligands. As a result of the computer simulation, the increase of adsorbed acetonitrile around bonded ligands is observed. The number of water molecules near the modeled surface is observed as well. The results are in agreement with experimental measurement of acetonitrile excess adsorption isotherms on the series of in-house made stationary-bonded phase.

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“…The density of this drop of solvent is 0.87 g/cm, which is comparable with the literature data for acetonitrile-water mixture of a given mass fraction at 298.15 K [49][50][51][52][53].…”

Section: Model Of Solvent Dropsupporting

confidence: 87%

Modeling solvation on the chemically modified silica surfaces

Buszewski

Bocian

Nowaczyk

2010

J of Separation Science

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“…Further it is assumed, that an equilibrium physical property such as viscosity, refractive index, surface tension etc which are based on linearity can also be predicted. Glinski [25] assumed that when solute is added to solvent the molecules interact according to A+B ↔ AB (10) and the association constant, Kas, can be defined as; …”

Section: Ramswamy and Anbananthan Modelmentioning

confidence: 99%

Pseudo-Gruneisen Parameter and Internal Pressure of Binary Mixtures from different Approaches

Shukla¹,

Gangwar²,

Shukla³

et al. 2015

Int. J. Thermo

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Density and speed of sound were measured earlier by us for binary liquid mixtures formed by Benzonitrile, Chlorobenzene, Benzyl chloride and Benzyl alcohol with Benzene at temperature range 298.15 to 313.15 K and atmospheric pressure over the whole concentration range. Pseudo-Gruneisen parameter and internal pressure were derived from the measured values of density and ultrasonic velocity. These values were compared with the theoretical values obtained by the utilization of Flory theory, Ramaswamy and Anbananthan model and model suggested by Glinski to predict the behavior of weakly interacting liquids. The observed properties derived from measured data were fitted to Redlich-Kister polynomial relation to estimate the binary coefficients and standard errors. Excess Pseudo-Gruneisen parameter for these binary mixtures was computed to study the molecular interactions involved in the liquid systems.

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“…The relation (4) can be used to modeling of the intermolecular interaction and structural properties of fluids and fluid mixtures on the bases of measured internal pressure data by using the molecular simulation techniques (MC and MD). It is obviously that for ideal gas the internal pressure is zero (no interaction between the molecules), while for real gases and liquids it significantly deviate from zero and much greater than the pressure.…”

Section: Introductionmentioning

confidence: 99%

“…Shukla et al [3] studied the internal-pressure coefficient and its correlation with solubility and pseudo-Gruneisen parameters for binary and multicomponent liquid mixtures over a wide range of concentration at 298 K using the measured values of viscosity, density, and ultrasonic velocity. Grant-Taylor and Macdonald [4] determined thermal-pressure coefficient of acetonitrile + water mixture at temperatures between 298 K and 328 K using 25 ml glass constant volume cell. The measured P-T isochores were fitted with the linear equation P = (∂P/∂T ) V T + C. The derived values of (∂P/∂T ) V were corrected for the finite expansion and compression of glass.…”

Section: Introductionmentioning

confidence: 99%