Relationship between segmental dynamics and tracer diffusion of low mass compounds in polyacrylates

Maji, Satoshi; Urakawa, Osamu; Adachi, Keiichiro

doi:10.1016/j.polymer.2006.12.039

Cited by 8 publications

(22 citation statements)

References 51 publications

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“…At this point the polymer material would be completely characterized at the temperature of interest, and D ( M 1 V̂ 1 * , P ) may be predicted for other diffusants. We note here that previous works also seek to predict D ( M 1 V̂ 1 * ) and other pertinent transport coefficients. ,,− …”

Section: Free Volume Theory Of Vrentas and Dudamentioning

confidence: 97%

Predicting the Effects of Composition, Molecular Size and Shape, Plasticization, and Swelling on the Diffusion of Aromatic Additives in Block Copolymers

Janes¹,

Chandrasekar

Woolford

et al. 2017

Macromolecules

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The rate of diffusion of small molecules within polymer matrices is important in an enormous scope of practical scenarios. However, it is challenging to perform direct measurements of each system of interest under realistic conditions. Free volume theories have proven capable of predicting diffusion coefficients in polymers but often require large amounts of physical constants as input. Therefore, we adapted a version of the Vrentas–Duda free volume theory of diffusion such that the necessary parameters may be obtained from a limited set of diffusion data collected at the temperature of interest using commercially available and automated sorption equipment. This approach correlates the size and shape of molecules to their trace diffusion coefficient, D, such that D of very large, solid diffusants can be predicted based on properties measured for condensable vapor diffusants. Our analysis was based on the volume-averaged transport properties of polyaromatic color additives within segmentally arranged poly(ether-block-amide) (PEBAX) block copolymer matrices. At very high polyamide content the considerable plasticization effects due to absorbed water can be accommodated by increasing the available hole free volume as a function of water content. Alternatively, if the release rate of additives is measured for very high polyether content and degree of swelling, the release rate in the unswollen elastomer may be anticipated using the tortuosity model of Mackie and Meares. Agreement of these physical models to new experimental data provides a scientific basis for accurately predicting the in vivo leaching of aromatic additives from medical device polymers using accelerated and/or simplified in vitro methodologies.

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Section: Free Volume Theory Of Vrentas and Dudamentioning

confidence: 97%

Predicting the Effects of Composition, Molecular Size and Shape, Plasticization, and Swelling on the Diffusion of Aromatic Additives in Block Copolymers

Janes¹,

Chandrasekar

Woolford

et al. 2017

Macromolecules

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show abstract

“…In this way, by selectively amplifying the dielectric signal, it was envisioned that it might be possible to determine relationships and correlations of individual fluctuations contributing to the overall chain dynamics by 'labeling' a polymer with covalently bound polar groups in welldefined positions along the chain. Such an approach offers clear advantages over classical experiments usually involving mixing small molecules as probes into a polymer matrix and measuring the effective local response by some means [3][4][5]. First, this latter approach gives a less direct way of evaluating the polymer dynamics simply because the probe is not necessarily directly 'slaved' to the chain dynamics.…”

Section: Introductionmentioning

confidence: 99%

Dielectric relaxation of various end-functionalized polystyrenes: Plastification effects versus specific dynamics

Lund

Plaza-García

Alegría

et al. 2010

Journal of Non-Crystalline Solids

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“…Diffusion coefficients of the species and moments were assumed to take the value of D = 1•10 − 9 m 2 /s, which is significantly higher than usual experimental values for polymers in solution [50][51][52][53]. Diffusion coefficients for the solvents, polymers and initiator are dependent on temperature, viscosity, polymer chain length and composition of the solution.…”

Section: Polymerizationmentioning

confidence: 99%

Optimization of a 3D-printed tubular reactor for free radical polymerization by CFD

2021

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A flow reactor for the complex reaction network of the free radical solution polymerization of n-butyl acrylate was optimized by a combination of kinetic modeling, computational fluid dynamics (CFD) and additive manufacturing. CFD was used to model a flow reactor with SMX mixing elements. An optimized geometry was 3D-printed from polypropylene. The modeled residence time behavior was compared to relevant experiments, giving a validation for the flow behavior of the reactor. A kinetic model for the free radical solution polymerization of n-butyl acrylate (BA) was in addition implemented into the CFD model. It was used to predict the polymerization behavior in the flow reactor and the resulting product properties. The experimental and computational results were in acceptable agreement. Graphical abstract

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Relationship between segmental dynamics and tracer diffusion of low mass compounds in polyacrylates

Cited by 8 publications

References 51 publications

Predicting the Effects of Composition, Molecular Size and Shape, Plasticization, and Swelling on the Diffusion of Aromatic Additives in Block Copolymers

Predicting the Effects of Composition, Molecular Size and Shape, Plasticization, and Swelling on the Diffusion of Aromatic Additives in Block Copolymers

Dielectric relaxation of various end-functionalized polystyrenes: Plastification effects versus specific dynamics

Optimization of a 3D-printed tubular reactor for free radical polymerization by CFD

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