Acoustic, volumetric, compressibility and refractivity properties and Flory’s reduction parameters of some homologous series of alkyl alkanoates from 298.15 to 333.15 K

Oswal, S.L.; Oswal, P.; Modi, Priya; Dave, J. P.; Gardas, Ramesh L.

doi:10.1016/s0040-6031(03)00368-x

Cited by 96 publications

(23 citation statements)

References 43 publications

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“…From the table it can be seen that higher deviations are observed in the description of the thermodynamic derivative properties considered for the lower molecular-weight compounds. This could be due to the dominance of the polar nature of the COO functional group for V (T , p), speed of sound u(T, p), isothermal compressibility k T (T, p), and isentropic compressibility k S (T, p) of selected n-alkyl acetates obtained with the SAFT-γ Mie group contribution approach from the experimental data at a pressure of p = 0.1 MPa, 156 where n is the number of data points. molecules with a short alkyl chain, which is not accurately reproduced by the theory in the case of derivative properties.…”

Section: Pure Componentsmentioning

confidence: 99%

Group contribution methodology based on the statistical associating fluid theory for heteronuclear molecules formed from Mie segments

Papaioannou

Lafitte

Avendaño

et al. 2014

The Journal of Chemical Physics

255

429

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A group contribution method for associating chain molecules based on the statistical associating fluid theory (SAFT-) The Journal of Chemical Physics 127, 234903 (2007) (2013)] is formulated within the framework of a group contribution approach (SAFT-γ Mie). Molecules are represented as comprising distinct functional (chemical) groups based on a fused heteronuclear molecular model, where the interactions between segments are described with the Mie (generalized Lennard-Jonesium) potential of variable attractive and repulsive range. A key feature of the new theory is the accurate description of the monomeric group-group interactions by application of a high-temperature perturbation expansion up to third order. The capabilities of the SAFT-γ Mie approach are exemplified by studying the thermodynamic properties of two chemical families, the n-alkanes and the n-alkyl esters, by developing parameters for the methyl, methylene, and carboxylate functional groups (CH 3 , CH 2 , and COO). The approach is shown to describe accurately the fluid-phase behavior of the compounds considered with absolute average deviations of 1.20% and 0.42% for the vapor pressure and saturated liquid density, respectively, which represents a clear improvement over other existing SAFT-based group contribution approaches. The use of Mie potentials to describe the group-group interaction is shown to allow accurate simultaneous descriptions of the fluid-phase behavior and second-order thermodynamic derivative properties of the pure fluids based on a single set of group parameters. Furthermore, the application of the perturbation expansion to third order for the description of the reference monomeric fluid improves the predictions of the theory for the fluid-phase behavior of pure components in the near-critical region. The predictive capabilities of the approach stem from its formulation within a group-contribution formalism: predictions of the fluid-phase behavior and thermodynamic derivative properties of compounds not included in the development of group parameters are demonstrated. The performance of the theory is also critically assessed with predictions of the fluid-phase behavior (vapor-liquid and liquid-liquid equilibria) and excess thermodynamic properties of a variety of binary mixtures, including polymer solutions, where very good agreement with the experimental data is seen, without the need for adjustable mixture parameters.

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Section: Pure Componentsmentioning

confidence: 99%

Group contribution methodology based on the statistical associating fluid theory for heteronuclear molecules formed from Mie segments

Papaioannou

Lafitte

Avendaño

et al. 2014

The Journal of Chemical Physics

255

429

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“…Fig. 2 show plot of standard deviation against various correlations used for the binary mixtures of DETA, DBA and TBA with aliphatic acetates at 298.15 K. From components of binary mixture [27][28][29]. The negative ∆n values decreases for all the binary systems with increase in carbon chain length of acetate group because refractive index depends on speed of light as carbon number increases in the acetate group the system became rarer and the molecular interaction decreases hence the bonding between amine and acetate components becomes weaker due to increase of size of acetate group.…”

Section: Resultsmentioning

confidence: 99%

Prediction of Interactions between Binary Mixtures of Aliphatic Amines and Aliphatic Acetates

Partibha¹,

Kumar²,

Rani³

et al. 2018

Asian J. Chem.

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The refractive indices (n) of aliphatic amines and aliphatic acetates were measured at different temperatures (293.15, 298.15, 303.15, 308.15 and 313.15 K) on the entire composition as CO2 capture is a fast-developing field with amine based technologies due to their reversible reaction with CO2. The aliphatic amines selected were diethylenetriamine, dibutylamine and tributylamineand methyl acetate, ethyl acetate, propyl acetate, butyl acetate and pentyl acetate respectively. All the possible binary mixtures of these aliphatic amines and acetates were taken for determining the experimental refractive indices and various empirical correlations like Arago-Biot, Gladstone-Dale, Lorentz-Lorenz, Heller, Weiner, Newton and Erying-John were applied to experimental data for estimating theoretical value of refractive indices. To evaluate the standard deviation, Redlich-Kister polynomial equation was applied to the measured refractive indices data.

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“…For mixing properties, the estimated uncertainties are 6•10 -8 m 3 mol -1 for excess molar volume, 0.46 % for viscosity deviation, 8.6•10 −4 for refractive index deviation and 0.96•10 −12 Pa -1 for excess isentropic compressibility. [6], () [7], () [8], () [9], () [10], () [11], () [12], () [13], () [14], () [15], () [16], () [17], () [18], () [19], () [20], () [21], () [22], () [23], () [24], () [25], () [26], () [27], () [28], () [29], () [30], () [31], () [32], () [33], () [34], () [35], () [36], () [37], () [38], () [39], () [40], () [41], () [42], () [43]. The lines are a guide to the eye.…”

Section: Methodsmentioning

confidence: 99%

Analysis of thermophysical properties of binary systems containing ethyl acetate and 1-propanol or 1-butanol

Majstorović

Mirković

Kijevčanin

et al. 2020

Hem Ind

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The aim of this research is the experimental determination of density, viscosity, refractive index and speed of sound for binary mixtures of the ester ethyl acetate and alcohols. Experimental measurements were carried out for two systems with 1-propanol and 1-butanol at atmospheric pressure and in a temperature range 288.15 - 323.15 K. Results of experimental measurements were further used to determine excess molar volumes, viscosity deviations, refractive index deviations, and excess isentropic compressibility for each investigated mixture. These calculated data were correlated using the empirical Redlich-Kister equation. Positive values of the excess molar volume and isentropic compressibility appear for both analysed systems, while values of viscosity and refractive index deviations are negative. The structure and specific characteristics of different molecules in considered mixtures and determined non-ideal behaviour allow the insight into the possible type of interactions in the mixture, interstitial accommodation and structural effects. [Project of the Serbian Ministry of Education, Science and Technological Development, Grant no. 172063]

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Acoustic, volumetric, compressibility and refractivity properties and Flory’s reduction parameters of some homologous series of alkyl alkanoates from 298.15 to 333.15 K

Cited by 96 publications

References 43 publications

Group contribution methodology based on the statistical associating fluid theory for heteronuclear molecules formed from Mie segments

Group contribution methodology based on the statistical associating fluid theory for heteronuclear molecules formed from Mie segments

Prediction of Interactions between Binary Mixtures of Aliphatic Amines and Aliphatic Acetates

Analysis of thermophysical properties of binary systems containing ethyl acetate and 1-propanol or 1-butanol

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