Diffusive desorption of small solute molecules from amorphous polymers: poly(methyl methacrylate), poly (vinyl acetate) and poly(n-alkyl 2-cyanoacrylates)

Vezin, W R; Florence, Alastair J.

doi:10.1016/0014-3057(81)90217-2

Cited by 4 publications

(2 citation statements)

References 8 publications

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“…In total, we located about 7800 polymer/solute diffusivity data points for over 1000 unique solutes, over 80 polymer chemistries, and more than 2500 polymer/solute combinations …”

Section: Resultsmentioning

confidence: 99%

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Robust estimates of solute diffusivity in polymers for predicting patient exposure to medical device leachables

Elder

Saylor

2023

Journal of Polymer Science

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Medical devices often include polymeric components, which contain additives or contaminants that may leach into patients and pose a health risk. Previously, we proposed a mass transport model that conservatively estimates the leaching kinetics and only requires the solute's diffusion coefficient in the polymer, , to be specified. Because determining experimentally is time‐consuming, we also parameterized empirical models to estimate worst‐case values using only the solute molecular weight, . These models were based on a modest database and were limited to 19 polymers and larger solutes ( g/mol). Here, we assemble a much larger database, which enables us to construct more accurate models using a robust statistical approach, expanding the coverage to 50 device‐relevant polymers and smaller solutes ( g/mol). Then, we demonstrate several applications of these bounds, including modeling the release kinetics. Finally, we observe an interesting phenomenon, a discontinuous drop in of up to 25,000× for solutes with g/mol in glassy polymers. Using molecular simulations and cheminformatics tools, we propose a novel definition of the effective diameter of free volume channels in polymers, and we show that solutes larger than this channel size diffuse much more slowly.

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“…In total, we located about 7800 polymer/solute diffusivity data points for over 1000 unique solutes, over 80 polymer chemistries, and more than 2500 polymer/solute combinations …”

Section: Resultsmentioning

confidence: 99%

“…We constructed a polymer/solute diffusivity database by conducting a literature search for diffusivity measurements of dilute solutes (<2 wt%) in non‐dilute polymers (i.e., not hydrogels or polymer solutions) at any temperature, for any solute, and using any experimental method …”

Section: Methodsmentioning

confidence: 99%