Excess molar volumes VmE, isothermal compressibilities k, and thermal expansivities α of {(1−x)H2O+xCH3OH} at T=(298.15 to 523.15) K and pressures up to 60 MPa

Safarov, Javid; Heydarov, Samir; Shahverdiyev, Astan; Hassel, Egon

doi:10.1016/j.jct.2004.03.011

Cited by 10 publications

(7 citation statements)

References 21 publications

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“…The excess molar Gibbs energy ( ) was obtained by assuming the form given in eq 5 with X = β G , and then fitting the excess chemical potentials (β = ln f i ) of both methanol and water to the experimental data using eq 6 with Y i = ln f i and X = β G . The resulting data are in agreement with previous determinations of the excess and partial molar volumes of methanol and water, ,, and a previous determination of the KB integrals for regions where the KB integrals are statistically reliable …”

Section: Methodssupporting

confidence: 91%

A Kirkwood−Buff Derived Force Field for Methanol and Aqueous Methanol Solutions

2005

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A force field for the simulation of methanol and aqueous methanol mixtures is presented. The force field was specifically designed to reproduce the experimental Kirkwood-Buff integrals as a function of methanol mole fraction, thereby ensuring a reasonable description of the methanol cosolvent and water solvent activities. Other thermodynamic and physical properties of pure methanol and aqueous methanol solutions, including the density, enthalpy of mixing, translational diffusion constants, compressibility, thermal expansion, and dielectric properties, were also well reproduced.

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Section: Methodssupporting

confidence: 91%

A Kirkwood−Buff Derived Force Field for Methanol and Aqueous Methanol Solutions

2005

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“…28 However, a similar order of magnitude for the excess molar volume has been reported for other alcohol + aromatic hydrocarbon systems. 8,9,[29][30][31] For all mixtures, the excess molar volume increases with increasing temperature, and the largest numerical values of the excess molar volume are found at 0.1 MPa.…”

Section: Excess Molar Volumesupporting

confidence: 75%

“…As it can be seen, the excess volume for the binary 1-propanol + toluene system is small compared with excess molar volumes reported for κ T ) 1 v mix E /cm 3 ‚mol -1 ) the asymmetrical binary system dimethyl carbonate + n-octane 27 or the associative system water + methanol. 28 However, a similar order of magnitude for the excess molar volume has been reported for other alcohol + aromatic hydrocarbon systems. 8,9,[29][30][31] For all mixtures, the excess molar volume increases with increasing temperature, and the largest numerical values of the excess molar volume are found at 0.1 MPa.…”

Section: Excess Molar Volumesupporting

confidence: 75%

Density Measurements under Pressure for the Binary System 1-Propanol + Toluene

Zéberg-Mikkelsen

Andersen

2005

J. Chem. Eng. Data

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The density of the binary system composed of 1-propanol and toluene has been measured under pressure using a vibrating-tube densimeter. The measurements have been performed for four different compositions as well as the pure compounds at four temperatures in the range of (303.15 to 333.15) K 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 but also due to the electron donor-acceptor-type formation of hydrogen bonding between the hydroxyl group of 1-propanol and the π electrons of toluene because aromatic hydrocarbons can act as electron donors.

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“…The application was tested on a set of 270 zeotropic and azeotropic systems of homogeneous binary solutions and 30 non‐homogeneous systems. In addition to the VLE data, values of the excess properties ( v E and h E ) have been used and, also, LLE data of the system studied, extracted from the literature,…”

Section: Results Of the Testmentioning

confidence: 99%

A rigorous method to evaluate the consistency of experimental data in phase equilibria. Application to VLE and VLLE

2017

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This work forms part of a broader study that describes a methodology to validate experimental data of phase equilibria for multicomponent systems from a thermodynamic‐mathematical perspective. The goal of this article is to present and justify this method and to study its application to vapor–liquid equilibria (VLE) and vapor–liquid–liquid equilibria (VLLE), obtained under isobaric/isothermal conditions. A procedure based on the Gibbs‐Duhem equation is established which presents two independent calculation paths for its resolution: (a) an integral method and (b) a differential method. Functions are generated for both cases that establish the verification or consistency of data, δψ for the integral test and δζ for the differential approach, which are statistically evaluated by their corresponding average values [ δtrueψ¯, δtrueζ¯], and the standard deviations [ strue(δψtrue), strue(δζtrue)]. The evaluation of these parameters for application to real cases is carried out using a set of hypothetical systems (with data generated artificially), for which the values are adequately changed to determine their influence on the method. In this way, the requirements of the proposed method for the data are evaluated and their behavior in response to any disruption in the canonical variables (p,T, phase compositions). The conditions for thermodynamic consistency of data are: δtrueψ¯<2, strue(δψtrue)<0.2, δtrueζ¯<5, and s(δξ)<0.2. In systems with VLLE, in addition to the previous criteria, must occur that: δxLLE<0.05 and δTLLE<0.5 K. The new proposed method has been tested with a set of 300 experimental binary systems, biphasic and triphasic, obtained from published bibliography, and the results are compared with those of other tests commonly used for testing thermodynamic consistency. The results show that the greater rigor of the proposed method is mainly due to the simultaneous verification of various independent variables. As a result, the conditions for the new test are verified for fewer systems than using other tests mentioned in the literature (i.e., Fredenslund‐test and direct of Van Ness). Its unique application is sufficient to ensure the consistency of experimental data, without using other tests. © 2017 American Institute of Chemical Engineers AIChE J, 2017

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Excess molar volumes VmE, isothermal compressibilities k, and thermal expansivities α of {(1−x)H2O+xCH3OH} at T=(298.15 to 523.15) K and pressures up to 60 MPa

Cited by 10 publications

References 21 publications

A Kirkwood−Buff Derived Force Field for Methanol and Aqueous Methanol Solutions

A Kirkwood−Buff Derived Force Field for Methanol and Aqueous Methanol Solutions

Density Measurements under Pressure for the Binary System 1-Propanol + Toluene

A rigorous method to evaluate the consistency of experimental data in phase equilibria. Application to VLE and VLLE

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