Influence of high pressures on CH4, CO2 and H2S solubility in polyethylene: Experimental and molecular simulation approaches for pure gas and gas mixtures. Modelling of the sorption isotherms

Sarrasin, F.; Memari, Peyman; Klopffer, Marie-Hélène; Lachet, Véronique; Condat, Carol Taravel; Rousseau, Bernard; Espuche, Éliane

doi:10.1016/j.memsci.2015.04.040

Cited by 25 publications

(36 citation statements)

References 50 publications

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“…A significant swelling occurs probably due to the greater interaction between carbon dioxide and the polar ester groups in the polymers. Note, for example, that the lack of any polar group as in polyethylene 33,[78][79][80][81] resulted in negligible swelling under similar conditions. However, polyethylene exhibits significant swelling at high pressures.…”

Section: Sorption Of Ch 4 and Co 2 In Poly(alkyl Acrylates)mentioning

confidence: 99%

“…However, polyethylene exhibits significant swelling at high pressures. [78][79][80][81] In general, the swelling of poly(alkyl acrylates) increases with increasing pressure and side-chain length and decreases with temperature. Also, the uptake of gas by poly(alkyl acrylates) follows the same trend as swelling (see below).…”

Section: Sorption Of Ch 4 and Co 2 In Poly(alkyl Acrylates)mentioning

confidence: 99%

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Sorption and Diffusion of Methane and Carbon Dioxide in Amorphous Poly(alkyl acrylates): A Molecular Simulation Study

2020

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Molecular simulations were carried out to understand the structural features, and the sorption and diffusion behavior of methane and carbon dioxide in amorphous poly(alkyl acrylates) in the temperature range of 300−600 K. The hybrid Monte Carlo/molecular dynamics approach was employed to address the effects of polymer swelling and framework flexibility on the gas sorption. Simulations show that the glass transition temperature decreases with side-chain length of poly(alkyl acrylate), consistent with experiments. This is due to the fact that the shielding of the polar ester groups increases with side-chain length. The simulated sorption isotherms for methane and carbon dioxide were in agreement with the experimental data. The polymer swelling becomes more pronounced, especially in the case of sorption of carbon dioxide. A significant swelling occurs possibly due to the greater interaction between carbon dioxide and the polar ester groups in the polymers. The uptake of methane and carbon dioxide by poly(alkyl acrylates) generally increases with side-chain length. Our simulations confirm the experimental findings that the diffusion coefficients of methane and carbon dioxide in poly(alkyl acrylates) increase with side-chain length. Interestingly, the activation energies of gas diffusion decrease with side-chain length.The diffusion coefficients of penetrants have an exponential relationship with the void fraction, which is in agreement with the free volume theory.

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Section: Sorption Of Ch 4 and Co 2 In Poly(alkyl Acrylates)mentioning

confidence: 99%

Section: Sorption Of Ch 4 and Co 2 In Poly(alkyl Acrylates)mentioning

confidence: 99%

Sorption and Diffusion of Methane and Carbon Dioxide in Amorphous Poly(alkyl acrylates): A Molecular Simulation Study

2020

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“…Generally these methods are based on manometric measurements where the flux of single components are inferred from pressure measurements. Transport and related coefficients such as permeability, solubility and diffusion have previously been determined, [8,9,10,11,12,13]. Heilman et al [14] measured the permeability and diffusivity coefficients of fluorinated polymers, polyamides, polyethylene terephthalate, and polyvinylchloride using closed-cell manometric methods with a maximum inlet pressure of 1.011 bar and a maximum temperature of 80 °C.…”

Section: Introductionmentioning

confidence: 99%

Permeation of a Range of Species through Polymer Layers under Varying Conditions of Temperature and Pressure: In Situ Measurement Methods

Craster

Jones

2019

Polymers

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Minimising the transport of corrosive reactants such as carbon dioxide, hydrogen sulfide and chloride ions to the surfaces of carbon steel pipes by the use of polymer barrier layers is of major interest in the oil and gas sector. In these applications, there is a requirement to assess the performance of these barrier layers although it is difficult to perform long-term predictions of barrier properties from the results of short-term measurements. New methodologies have been successfully developed to study the permeability of carbon dioxide (CO2) and hydrogen sulfide (H2S) through polymer layers under variable conditions of elevated temperatures of 100 °C and pressures of the order of 400 barg. In situ variation of the temperature and the inlet pressure of the gas (or gas mixture) allowed the activation energy and pressure dependence of the permeability to be determined without outgassing of the specimen. These methodologies have been applied to the measurement of the permeability of moulded polyphenylene sulfide (PPS) to supercritical CO2 in the presence of H2S. The diffusion coefficients of sodium chloride and potassium chloride through both PPS and polyether ether ketone (PEEK) at ambient temperature and pressure have also been measured.

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“… The volume of the amorphous phase decreased down to 6% at 2k bars due to less free volume available. [ 166 ] PA11 H 2 S T:80 °C P: 200 bars The anti-H 2 S layer stopped the permeation due to the presence of PEZnO. This zinc oxide has higher reactivity with H 2 S, proved by a full-scale flowline qualification test.…”

Section: Table A1mentioning

confidence: 99%

Permeation Damage of Polymer Liner in Oil and Gas Pipelines: A Review

2020

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Non-metallic pipe (NMP) materials are used as an internal lining and standalone pipes in the oil and gas industry, constituting an emerging corrosion strategy. The NMP materials are inherently susceptible to gradual damage due to creep, fatigue, permeation, processing defects, and installation blunder. In the presence of acid gases (CO2, H2S), and hydrocarbons under high pressure and temperature, the main damage is due to permeation. The monitoring of possible damage due to permeation is not well defined, which leads to uncertainty in asset integrity management. Assessment of permeation damage is currently performed through mechanical, thermal, chemical, and structural properties, employing Tensile Test, Differential Scanning Calorimetry (DSC), Fourier-transform Infrared Spectroscopy (FTIR), and Scanning Electron Microscopy (SEM)/Transmission Electron Microscopy (TEM), to evaluate the change in tensile strength, elongation, weight loss or gain, crystallinity, chemical properties, and molecular structure. Coupons are commonly used to analyze the degradation of polymers. They are point sensors and did not give real-time information. Polymers are dielectric materials, and this dielectric property can be studied using Impedance Analyzer and Dielectric Spectroscopy. This review presents a brief status report on the failure of polymer liners in pipelines due to the exposure of acid gases, hydrocarbons, and other contaminants. Permeation, liner failures, the importance of monitoring, and new exclusive (dielectric) property are briefly discussed. An inclusive perspective is provided, showing the challenges associated with the monitoring of the polymer liner material in the pipeline as it relates to the life-time prediction requirement.

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Influence of high pressures on CH4, CO2 and H2S solubility in polyethylene: Experimental and molecular simulation approaches for pure gas and gas mixtures. Modelling of the sorption isotherms

Cited by 25 publications

References 50 publications

Sorption and Diffusion of Methane and Carbon Dioxide in Amorphous Poly(alkyl acrylates): A Molecular Simulation Study

Sorption and Diffusion of Methane and Carbon Dioxide in Amorphous Poly(alkyl acrylates): A Molecular Simulation Study

Permeation of a Range of Species through Polymer Layers under Varying Conditions of Temperature and Pressure: In Situ Measurement Methods

Permeation Damage of Polymer Liner in Oil and Gas Pipelines: A Review

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