Prediction of solvent activities in polymer solutions

High, Martin S.; Danner, Ronald P.

doi:10.1016/0378-3812(90)85001-q

Cited by 42 publications

(19 citation statements)

References 12 publications

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“…For process and product design, vapor-liquid equilibria (VLE) for solvent-polymer systems are necessary for a variety of applications including surface acoustic-wave vapor sensors (Ballantine and Wohltjen, 1989;Grate et al, 1992); recovery of organic vapors from waste-air streams using a polymeric membrane (Baker et al, 1987;Matsumoto et al, 1991); pervapoiation (Maeda et al, 1991), and other polymeric membrane-separation processes; polymer devolatilization (High and Danner, 1990); vapor-phase photografting (Kubota et al, 1990); and for optimum formulation of paints and coatings (Napper, 1983). New experimental data and correlations are required for rational design.…”

Section: Introductionmentioning

confidence: 99%

Vapor−Liquid Equilibria for Solvent−Polymer Systems from a Perturbed Hard-Sphere-Chain Equation of State

Gupta

Prausnitz

1996

Ind. Eng. Chem. Res.

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Vapor−liquid equilibria (VLE) for solvent−polymer mixtures at modest pressures are obtained from a perturbed hard-sphere-chain equation of state. This equation of state is the sum of a hard-sphere-chain term as the reference system and a van der Waals attractive term as the perturbation. The reference equation follows from the Percus−Yevick integral theory coupled with chain connectivity as described by Chiew. The effect of specific interactions, such as hydrogen bonding, is introduced through the proposal of Veytsman based on the statistical distribution of hydrogen bonds between donor and acceptor sites suggested by molecular structure. Calculated and observed vapor−liquid equilibria are presented for nonpolar, polar, and hydrogen-bonding solvent + homopolymer systems. Pure-component parameters (number of segments per molecule, segment−segment energy, and segment diameter) are obtained from pure-component properties: liquid density and vapor pressure data for normal fluids and pressure−volume−temperature data for polymers. A binary energy interaction parameter must be obtained from limited VLE data for each binary system; this parameter appears to be independent of temperature and composition over a useful range. Theoretical correlations and predictions are in good agreement with experiment.

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Section: Introductionmentioning

confidence: 99%

Vapor−Liquid Equilibria for Solvent−Polymer Systems from a Perturbed Hard-Sphere-Chain Equation of State

Gupta

Prausnitz

1996

Ind. Eng. Chem. Res.

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“…Vapor-liquid equilibria (VLE) in polymer+solvent systems are necessary for a variety of applications including surface acoustic-wave vapor sensors (Ballantine and Wohltjen, 1989;Grate et al, 1992); recovery of organic vapors from waste-air streams using a polymeric membrane (Baker et al, 1987;Matsumoto et al, 1991); pervaporation (Maeda et al,199 l), and other polymeric membrane-separation processes; polymer devolatilization (High and Danner, 1990); vapor-phase photografting (Kubota et al, 1990); and for optimum formulation of paints and coatings (Napper, 1983). For rational process and product design, we require experimental data and correlations based on molecular thermodynamics.…”

Section: Introductionmentioning

confidence: 99%

Vapor-liquid equilibria for copolymer/solvent systems: Effect of “intramolecular repulsion”

Gupta¹,

Prausnitz²

1996

Fluid Phase Equilibria

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The role of intramolecular interactions in blend miscibility is well documented for polymer+copolymer mixtures (ten Brinke et al., 1983;Paul and Barlow, 1984). Some copolymer+polymer mixtures are miscible although their corresponding homopolymers are not miscible; for example, over a range of acrylonitrile content, styrene/acrylonitrile copolymers are miscible with poly(methy1 methacrylate) but neither polystyrene nor polyacrylonitrile is miscible with poly(methy1 methacrylate). Similarly, over a composition range, butadiendacrylonitrile copolymers are miscible with poly(viny1 chloride) while none of the binary combinations of the homopolymers [polybutadiene, polyacrylonitrile, and poly(viny1 chloride)] are miscible. This behavior has been attributed to "intramolecular repulsion" between unlike copolymer segments.We have observed similar behavior in vapor-liquid equilibria (VLE) of copolymer+solvent systems. We find that acrylonitrile/butadiene copolymers have higher affmity for acetonitrile solvent than do polyacrylonitrile or polybutadiene. We attribute this non-intuitive behavior to "intramolecular repulsion" between unlike segments of the copolymer. This repulsive interaction is weakened when acetonitrile molecules are in the vicinity of unlike copolymer segments, favoring copolymer+solvent miscibility. We find similar behavior when acetonitrile is replaced by methyl ethyl ketone. To our best knowledge, this effect has not been reported previously for VLE. We have obtained VLE data for mixtures containing a solvent and a copolymer as a function of copolymer composition. It appears that, at a given solvent partial pressure, there may be copolymer composition that yields maximum absorption of the solvent. This highly non-ideal VLE phase behavior may be useful for optimum design of a membrane for a separation process.

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“…Vapor-liquid equilibria (VLE) in polymer/solvent systems are necessary for a variety of applications including surface acoustic-wave vapor sensors (Ballantine and Wohltjen, 1989;Grate et al, 1992); recovery of organic vapors from waste-air streams using a polymeric membrane (Baker et al, 1987;Matsumoto et al, 1991); pervaporation (Maeda et al, 1991), and other polymeric membrane-separation processes; polymer devolatilization (High and Danner, 1990); vapor-phase photografting (Kubota et al, 1990); and for optimum formulation of paints and coatings (Napper, 1983). For rational process and product design, we require experimental data and correlations based on molecular thermodynamics.…”

Section: Introductionmentioning

confidence: 99%

Vapor-Liquid Equilibria of Copolymer + Solvent and Homopolymer + Solvent Binaries: New Experimental Data and Their Correlation

Gupta¹,

Prausnitz²

1995

J. Chem. Eng. Data

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Prediction of solvent activities in polymer solutions

Cited by 42 publications

References 12 publications

Vapor−Liquid Equilibria for Solvent−Polymer Systems from a Perturbed Hard-Sphere-Chain Equation of State

Vapor−Liquid Equilibria for Solvent−Polymer Systems from a Perturbed Hard-Sphere-Chain Equation of State

Vapor-liquid equilibria for copolymer/solvent systems: Effect of “intramolecular repulsion”

Vapor-Liquid Equilibria of Copolymer + Solvent and Homopolymer + Solvent Binaries: New Experimental Data and Their Correlation

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