Predictive modelling framework for biodegradable food packaging materials

Overview

The project aims to establish a robust in-silico predictive modelling framework that leverages the Schrödinger Suite to identify, characterize, and optimize indigenous sub-Saharan African materials for biodegradable food packaging. This initiative seeks to promote food security and reduce post-harvest losses by developing packaging that is both environmentally sustainable and effective in preserving high-acid ready-to-eat foods. By utilizing abundant agricultural by-products such as banana/plantain leaf composites, African Katamfe biopolymers, and cassava starch-based films, the project offers a scalable alternative to synthetic packaging.

Technical specifications

Key features of the framework include:

• Simulation of thermal resistance and barrier performance against oxygen, water vapour, and organic acids.
• Evaluation of shelf-life potential for up to 24 months under ambient conditions.
• Utilization of 3D molecular modelling, energy minimization, and molecular dynamics simulations to assess mechanical strength and degradation.
• Integration of active packaging features and multi-criteria material ranking to guide the design of flexible, semi-rigid, and rigid packaging formats.

Technology readiness level

Currently at Technology Readiness Level 2, the project is in the early stages of development, focusing on model construction and validation against experimental benchmarks. Future phases will involve comprehensive simulation runs and the development of design-ready specifications, leading to a final reporting phase including scholarly publications and stakeholder briefings.