# Diffusion Coefficients and Activation Energies of Diffusion of Organic Molecules in Poly(lactic acid) Films

## TL;DR

This study measures how organic molecules diffuse through poly(lactic acid) films and uses the data to model diffusion behavior for predicting performance in packaging.

## Contribution

The paper provides novel diffusion coefficients and activation energies for 55 organic molecules in PLA films and establishes predictive modeling parameters.

## Key findings

- Diffusion coefficients and activation energies were determined for 55 organic molecules in PLA films.
- Activation energy correlated with molecular volume and pre-exponential factor.
- PLA diffusion behavior was compared with polyethylene terephthalate and polyethylene naphthalate.

## Abstract

Poly(lactic acid) (PLA) is one of the most important bio-based and industrial compostable materials in food packaging. Its barrier properties towards oxygen and moisture are well documented. However, data on barrier properties of PLA towards organic molecules are scarce in the literature. This study investigated the diffusion of various organic molecules, including n-alkanes, 1-alcohols, 2-ketones, ethers, esters, amines, and aromatics, in two commercial PLA films with thicknesses of 20 µm and 30 µm. The diffusion coefficient (DP) values were determined from lag time in permeation tests conducted at temperatures ranging from 20 °C to 90 °C. The films were also characterized in terms of crystallinity, rigid and mobile amorphous fractions, and molecular weight. Activation energies (EA) were calculated based on the temperature dependence of the DP using the Arrhenius approach. In total, 290 DP values for 55 individual substances were determined, and 38 EA values were derived from these data. The EA correlated well with the molecular volume of the investigated substances. Moreover, the pre-exponential factor D0 showed a correlation with EA. These correlations enabled the establishment of diffusion modeling parameters for PLA, allowing the prediction of DP for untested substances. The diffusion behavior of PLA was further compared with the literature data for polyethylene terephthalate and polyethylene naphthalate, providing insights into the relative performance of these materials.