Polymer/clay nanocomposite films as active packaging material: Modeling of antimicrobial release

• LDPE/OMM/carvacrol nanocomposite films were synthesized as antimicrobial packaging.
• DoE, PLSR and RSM were combined to model carvacrol release.
• Three variables were simultaneously modeled with eight release/packaging properties.
• A PLS overall calibration model with R2 = 0.923 and Q2 = 0.453 was obtained.
• Optimized formulations diminished diffusion coefficient in 42% respect neat LDPE.

An integral combination of design of experiments (DoE), partial least squares regression (PLSR) and response surface methodology (RSM) was applied to model the release of carvacrol into a food simulant from an antimicrobial material based on low-density polyethylene/organically-modified montmorillonite (LDPE/OMM) nanocomposite films. Using a D-optimal design, one qualitative-multi-level x-variable and two quantitative x-variables of the nanocomposite formulation were studied: type of OMM, concentration of OMM and concentration of a compatibilizer agent. Eight y-responses were simultaneously modeled using PLSR, including four kinetic/diffusion properties of carvacrol release toward food simulant (initial rate of release, overall kinetic rate constant, diffusion coefficient and diffusion rate constant), and four packaging properties (Young’s modulus, intercalation, decomposition and melting temperature). An ANOVA-validated (p < 0.05) PLS model was obtained with R2 = 0.923 and Q2 = 0.453, modeling the all x-variables with all y-responses simultaneously. A formulation that maximizes packaging properties and minimizes carvacrol release was calculated by using RSM.

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