The Sorption of Organic Vapors by Polyethylene

Rogers, Charles; Stannett, V.; Szwarc, M.

doi:10.1021/j150579a017

Cited by 126 publications

(68 citation statements)

References 2 publications

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“…The network formed by these tie segments has been considered as crosslinks constraining the amorphous phase of the polymer. This network results in an additional elastic constraint [39][40][41]. Several authors have invoked this elastic effect to correct their calculated gas solubility coefficients in the amorphous phase of semicrystalline polymers.…”

Section: Interpretation Of the Additional Constraint Based On The Elamentioning

confidence: 99%

“…The correction term is usually introduced as a contribution to the activity coefficients of the different species. Some modified equations of state are proposed that allow the calculation of thermodynamics properties including the elastic effect contribution [40,[44][45][46][47]67]. Different elastic models exist in the literature.…”

Section: Interpretation Of the Additional Constraint Based On The Elamentioning

confidence: 99%

“…The Flory and Rehner model, which is dedicated to the study of crosslinks rubbers [40,42,43], assumes a Gaussian distribution of the tie segments. A few years later, this model has been extended to semicrystalline polymers [39][40][41] considering a Hookean behaviour of the tie segments. Some authors have tried to compare these two elastic models [44,47].…”

Section: Interpretation Of the Additional Constraint Based On The Elamentioning

confidence: 99%

“…The crystalline region effect on the amorphous phase has been accounted for by theoretical approaches [39][40][41] based on Flory and Rehner work [42,43]. This effect comes from the fact that some polymer chains leaving a crystalline region may be trapped in another crystalline region.…”

Section: Introductionmentioning

confidence: 99%

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Gas Permeation in Semicrystalline Polyethylene as Studied by Molecular Simulation and Elastic Model

Memari

Lachet

Rousseau

2013

Oil Gas Sci. Technol. – Rev. IFP Energies nouvelles

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> Development of Reactive Barrier Polymers against Corrosion for the Oil and Gas Industry: From Formulation to Qualification through the Development of Predictive Multiphysics ModelingDéveloppement de matériaux barrières réactifs contre la corrosion pour l'industrie pétrolière : de la formulation à la qualification industrielle en passant par le développement de modèles multiphysiques prédictifs Résumé -Perméation de gaz dans le polyéthylène semi-cristallin par simulation moléculaire et modèle élastique -Dans ce travail, nous utilisons la simulation moléculaire pour étudier la perméa-tion de deux gaz (CH 4 et CO 2 ) dans le polyéthylène. Ces simulations sont conduites à des températures inférieures à la température de fusion du polymère. Bien que dans de telles conditions, le polyéthylène soit à l'état semi-cristallin, des boîtes de simulation contenant exclusivement du polymère amorphe sont utilisées. Dans de précédents travaux [Memari P., Lachet V., Rousseau B. (2010) Polymer 51, 4978], nous avons montré que les effets de la morphologie complexe des matériaux semi-cristallins pouvaient être pris en compte de manière implicite par une contrainte ad-hoc exercée sur la phase amorphe. Dans le présent travail, nous montrons que cette approche peut être mise en oeuvre non seulement pour le calcul de propriétés d'équilibre mais également pour le calcul de propriétés de transport comme les coefficients de diffusion. De plus, en utilisant le modèle élastique de Michaels et Hausslein [Michaels A.S., Hausslein R.W. (1965) J. Polymer Sci. : Part C 10, 61], cette contrainte ad-hoc peut être reliée à la fraction de chaînes qui contribuent au terme d'énergie élastique dans le matériau. Nous constatons que les propriétés de transport dans les régions amorphes sont fortement influencées par cette fraction de chaînes. Abstract

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Section: Interpretation Of the Additional Constraint Based On The Elamentioning

confidence: 99%

Section: Interpretation Of the Additional Constraint Based On The Elamentioning

confidence: 99%

Section: Interpretation Of the Additional Constraint Based On The Elamentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Gas Permeation in Semicrystalline Polyethylene as Studied by Molecular Simulation and Elastic Model

Memari

Lachet

Rousseau

2013

Oil Gas Sci. Technol. – Rev. IFP Energies nouvelles

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“…In this theory, the rate of maximum swelling is the result of the equilibrium between two major adverse effects: the entropy of mixing and the entropy of polymer chain configuration. For quantitative determination of interactions between liquid molecules and polymeric chains, the Flory-Huggins parameter was proposed; unfortunately, it cannot be applied in every case [8][9][10].…”

Section: Introductionmentioning

confidence: 99%

Swelling effects in cross-linked polymers by thermogravimetry

Sienkiewicz

Krasucka

Charmas

et al. 2017

J Therm Anal Calorim

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The present study focuses on the mechanism of swelling and evaluates interactions between solvents of different chemical characters (polar-ethanol, nonpolarn-heptane) and commercially available porous Amberlite polymers (XAD4, XAD16, XAD7HP) by temperatureprogrammed desorption (TPD). The first two polymers are the product of copolymerization of styrene and divinylbenzene. Despite having the same chemical composition, they differ in pore size and volume. The Amberlite XAD7HP is composed of an acrylic matrix and has lower pore volume and specific surface area than XAD16 and XAD4. All three resins have the ability to swell, though the per cent of polymeric network expansion during this process varies depending on the solvent used (e.g. in tetraethyl orthosilicate, XAD4 and XAD16 spherical particles increase in volume by 20-30%, while XAD7HP particles can expand by more than 120%). The TPD experiment was performed in dynamic linear and quasistatic heating mode. Based on thermogravimetric data, the desorption energy of selected liquids and pore size distribution in the swollen state were estimated. The obtained results are discussed in terms of both mathematical modelling and low-temperature nitrogen adsorption-desorption experiment.

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Prediction of permeability of laminate films; new methods for ultra-thin layers and systems with solute-concentration-dependent diffusivity

Hedenqvist

Gedde

1999

Packag. Technol. Sci.

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The Sorption of Organic Vapors by Polyethylene

Cited by 126 publications

References 2 publications

Gas Permeation in Semicrystalline Polyethylene as Studied by Molecular Simulation and Elastic Model

Gas Permeation in Semicrystalline Polyethylene as Studied by Molecular Simulation and Elastic Model

Swelling effects in cross-linked polymers by thermogravimetry

Prediction of permeability of laminate films; new methods for ultra-thin layers and systems with solute-concentration-dependent diffusivity

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