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

The excess molar volume VE of the binary liquid systems acetonitrile methanol and acetonitrile + ethanol, experimentally determined in the previous part, were correlated by the PRSV CEOS coupled with the vdW and TCBT mixing rules. The results obtained show that the number and position of the interaction parameters of these models are of great importance for a satisfactory fitting of VE data.

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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

The Journal of Chemical Thermodynamics ◽

10.1016/j.jct.2010.05.009 ◽

2010 ◽

Vol 42 (11) ◽

pp. 1335-1345 ◽

Cited By ~ 42

Author(s):

M. Fattahi ◽

H. Iloukhani

Keyword(s):

Refractive Index ◽

Equation Of State ◽

Molar Volume ◽

Excess Molar Volume ◽

Ternary Mixture ◽

Volume Viscosity ◽

Index Study ◽

Eras Model ◽

Different Temperatures

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Molecular Dynamics Simulations of Crystal Nucleation near Interfaces in Incompatible Polymer Blends

Polymers ◽

10.3390/polym13030347 ◽

2021 ◽

Vol 13 (3) ◽

pp. 347

Author(s):

Wenlin Zhang ◽

Lingyi Zou

Keyword(s):

Molecular Dynamics ◽

Polymer Blends ◽

Md Simulations ◽

Nucleation And Growth ◽

Crystal Nucleation ◽

Crystalline Order ◽

Mobile Species ◽

Deep Supercooling ◽

Crystallizable Polymer ◽

Dynamics Simulations

We apply molecular dynamics (MD) simulations to investigate crystal nucleation in incompatible polymer blends under deep supercooling conditions. Simulations of isothermal nucleation are performed for phase-separated blends with different degrees of incompatibility. In weakly segregated blends, slow and incompatible chains in crystallizable polymer domains can significantly hinder the crystal nucleation and growth. When a crystallizable polymer is blended with a more mobile species in interfacial regions, enhanced molecular mobility leads to the fast growth of crystalline order. However, the incubation time remains the same as that in pure samples. By inducing anisotropic alignment near the interfaces of strongly segregated blends, phase separation also promotes crystalline order to grow near interfaces between different polymer domains.

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Determination of density and excess molar volume of dimethyl sulfoxide + 1-allyl-3-methylimidazolium chloride mixtures at high pressure

The Journal of Supercritical Fluids ◽

10.1016/j.supflu.2017.07.040 ◽

2017 ◽

Vol 130 ◽

pp. 76-83 ◽

Cited By ~ 3

Author(s):

Laura de Pablo Nisa ◽

José J. Segovia ◽

Ángel Martín ◽

M. Carmen Martín ◽

M. Dolores Bermejo

Keyword(s):

High Pressure ◽

Dimethyl Sulfoxide ◽

Molar Volume ◽

Excess Molar Volume

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Description of Phase Behavior of Polymer Blends by Different Equation-of-State Theories. 1. Phase Diagrams and Thermodynamic Reasons for Mixing and Demixing

Macromolecules ◽

10.1021/ma00123a028 ◽

1995 ◽

Vol 28 (19) ◽

pp. 6586-6594 ◽

Cited By ~ 8

Author(s):

Bernd Rudolf ◽

Hans-Joachim Cantow

Keyword(s):

Equation Of State ◽

Polymer Blends ◽

Phase Behavior ◽

Phase Diagrams

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A Study on the density and excess molar volume of the mixture formed by 2-amino-2-methyl-1-propanol, diethanolamine, and water

Revista Mexicana de Física ◽

10.31349/revmexfis.66.504 ◽

2020 ◽

Vol 66 (4 Jul-Aug) ◽

pp. 504

Author(s):

L. F. Ramirez-Verduzco

Keyword(s):

Molar Volume ◽

Excess Molar Volume ◽

Ternary Mixture ◽

Mixing Rule ◽

Average Absolute Deviation ◽

Absolute Deviation ◽

Entire Concentration Range ◽

Petroleum Refineries ◽

And Control ◽

Correct Design

Aqueous alkanolamines solutions are widely used in petroleum refineries to remove acid gases from hydrotreated streams. The knowledge of physical properties in this kind of solutions is useful for the correct design, operation, and control of sweetening processes. Due to the above, we carried out a study on the density of the ternary mixture: 2-Amino-2-Methyl-1-Propanol (AMP) + Diethanolamine (DEA) + Water (H2O). Density was measured by means of the vibrating tube method with an uncertainty of 2×10-4 g·cm-3. The experimental data was obtained in the entire concentration range, temperatures from 303.15 to 333.15 K, and pressure of 101.3 kPa. In addition, the following three prediction methods were tested to estimate the density of the blend: mixing rule, polynomial correlation, and excess molar volume. The best prediction was obtained by means of the excess molar volume through the Redlich-Kister and Cibulka equations, where an average absolute deviation (AAD) of 0.02%, correlation coefficient (R) of 0.9999, and standard deviation (<s>) of 3×10-4 g·cm-3 were obtained.

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