Biocomposite design for food packaging
Lead Research Organisation:
University of Strathclyde
Department Name: Chemical and Process Engineering
Abstract
Plastic waste has a hugely detrimental impact on the environment and there is mounting pressure on industry to replace traditional polluting petrochemical polymers with sustainably-sourced polymers. Plastic film food packaging, while single-use, plays an important role in extending the shelf life of food and reducing food waste that is a significant contributor to greenhouse gases. While plastic films are typically made from recyclable polymers most plastic film food packaging is neither biodegradable nor recyclable due to food contamination. Therefore, if films can be designed to have the appropriate properties, be sustainably-sourced and biodegradable, these sustainable polymer films would be a much better alternative for food packaging applications and result in a large reduction in the amount of plastic ending up in landfill.
There are many sustainably-sourced and biodegradable polymers. Nevertheless, the switch to sustainable polymer films is challenging due to a number of factors, not least of which is their poor performance in comparison to petrochemical polymers. If we are able to drive the performance properties of the sustainable polymer films up to the levels of the petrochemicals, consumer and industry demand combined with government incentives will in turn drive large-scale production and lower cost manufacturing. It is, therefore, a matter of urgency to improve sustainable polymer film performance to enable its wide-spread uptake. The performance and processability of sustainable polymer films can be improved by the addition of filler particles and plasticisers, respectively, to form a composite material. While there are numerous studies of specific biodegradable polymer composites (which we name biocomposites) in the scientific literature, progress has been slow owing to a lack of rational design.
To increase the shelf life of food, composite packaging films must act as a gas and moisture barrier. The films must also be chemically and thermally stable, have sufficient mechanical strength and flexibility, and transparency so they are aesthetically pleasing to the consumer. From the manufacturing perspective the films must be easily processible. Good barrier properties typically require a high degree of polymer crystallinity. Yet, film flexibility and transparency are also important attributes and require that the crystallites are not too large, potentially reducing crystallinity. The presence of filler particles can either induce or hinder polymer crystallinity, depending on the interaction of the particles with the polymer. The film's microstructure, caused by the spatial arrangement of the polymer crystallites within it, then dictates the large-scale properties such as flexibility, transparency and gas barrier.
We propose that crystallinity can be controlled via the interfacial properties and coupling agent, that the microstructure can be controlled through interface properties and processing, and that the composite performance can be controlled through the microstructure. We also expect that the design guidelines will be transferable to other biocomposites. In this project, we will use molecular dynamics simulations to model polymer crystallisation near the filler particle interface. Mesoscale (e.g. finite element and Monte Carlo) modelling will be used to simulate the resulting microstructure. The modelling, combined with experimental preparation, characterisation, and performance measurements, will enable the interface properties and processing steps to be connected to the material properties. The project outcomes will be: 1) identification of biocomposites suitable for thin film food packaging, 2) increased understanding of how filler particles affect polymer crystallization and microstructure, 3) design rules for accelerated biocomposite development, and 4) establishing the pathway for the uptake of the design rules and new materials by industry.
There are many sustainably-sourced and biodegradable polymers. Nevertheless, the switch to sustainable polymer films is challenging due to a number of factors, not least of which is their poor performance in comparison to petrochemical polymers. If we are able to drive the performance properties of the sustainable polymer films up to the levels of the petrochemicals, consumer and industry demand combined with government incentives will in turn drive large-scale production and lower cost manufacturing. It is, therefore, a matter of urgency to improve sustainable polymer film performance to enable its wide-spread uptake. The performance and processability of sustainable polymer films can be improved by the addition of filler particles and plasticisers, respectively, to form a composite material. While there are numerous studies of specific biodegradable polymer composites (which we name biocomposites) in the scientific literature, progress has been slow owing to a lack of rational design.
To increase the shelf life of food, composite packaging films must act as a gas and moisture barrier. The films must also be chemically and thermally stable, have sufficient mechanical strength and flexibility, and transparency so they are aesthetically pleasing to the consumer. From the manufacturing perspective the films must be easily processible. Good barrier properties typically require a high degree of polymer crystallinity. Yet, film flexibility and transparency are also important attributes and require that the crystallites are not too large, potentially reducing crystallinity. The presence of filler particles can either induce or hinder polymer crystallinity, depending on the interaction of the particles with the polymer. The film's microstructure, caused by the spatial arrangement of the polymer crystallites within it, then dictates the large-scale properties such as flexibility, transparency and gas barrier.
We propose that crystallinity can be controlled via the interfacial properties and coupling agent, that the microstructure can be controlled through interface properties and processing, and that the composite performance can be controlled through the microstructure. We also expect that the design guidelines will be transferable to other biocomposites. In this project, we will use molecular dynamics simulations to model polymer crystallisation near the filler particle interface. Mesoscale (e.g. finite element and Monte Carlo) modelling will be used to simulate the resulting microstructure. The modelling, combined with experimental preparation, characterisation, and performance measurements, will enable the interface properties and processing steps to be connected to the material properties. The project outcomes will be: 1) identification of biocomposites suitable for thin film food packaging, 2) increased understanding of how filler particles affect polymer crystallization and microstructure, 3) design rules for accelerated biocomposite development, and 4) establishing the pathway for the uptake of the design rules and new materials by industry.
Organisations
- University of Strathclyde (Lead Research Organisation)
- University of Cambridge (Collaboration)
- UNIVERSITY OF EDINBURGH (Collaboration)
- Zero Waste Scotland (Project Partner)
- ScotCHEM (Project Partner)
- AgriFood X Limited (Project Partner)
- PacTec Limited (Project Partner)
- Bute Island Foods Ltd (Project Partner)
- Oceanium Ltd. (Project Partner)
- CelluComp Ltd (Project Partner)
Publications
Majerczak K
(2023)
Evaluation of spherulite growth in PHB -based systems - A DoE approach
in Journal of Applied Polymer Science
Majerczak K
(2024)
Submission to Journal of Polymers and the Environment Evaluation of Thermal Properties and Crystallinity in PHB-Based Systems - A DoE Approach
in Journal of Polymers and the Environment
Majerczak K
(2022)
Polyhydroxybutyrate: a review of experimental and simulation studies of the effect of fillers on crystallinity and mechanical properties
in Polymer International
Wadkin-Snaith D
(2024)
The impact of plasticisers on crystal nucleation, growth and melting in linear polymers
in Polymer
Wadkin-Snaith D
(2023)
Filler-induced heterogeneous nucleation of polymer crystals investigated by molecular dynamics simulations
in Polymer
| Description | A coarse-grained model was developed that can be used to predict effects of fillers and plasticisers on polymer crystallinity. An Avrami model is also being developed that can simulate spherulitic microstructures and gas barrier. Together these will help to form the basis of design guidelines. |
| Exploitation Route | The model can be used to help industrial partners predict how to crystallise better their polymer - based products, including plastic film, adhesives. This model was used in an AKT project by Ingevity Ltd. Samples of PHB films have been extruded, demonstrating feasibility of processing capability. Collaborative work is underway to measure barrier in our extruded films, and in future they can be translated to coatings e.g. on paper, or cellulose films. |
| Sectors | Agriculture Food and Drink Chemicals Manufacturing including Industrial Biotechology |
| Description | Our outreach activities based on our research project have had an influence on public perception of plastic pollution. We have raised awareness of the issues and recycling options, and also of innovation into new, sustainable plastic materials. The project work was also presented as part of the Accelerate programme, which aims to encourage school students to take up chemical engineering at university. Our findings and tools are also being explored by industrial partners. In particular, the simulation model has been applied to investigate the effect of initiator type on crystallisation of adhesives, in collaboration with Ingevity UK Ltd. PHB is also being investigated as a coating for paper and cellulose films, which would be applicable to the food and drinks industries. |
| First Year Of Impact | 2021 |
| Sector | Chemicals,Manufacturing, including Industrial Biotechology |
| Impact Types | Societal |
| Description | Accelerated Knowledge Transfer |
| Amount | £24,814 (GBP) |
| Organisation | Innovate UK |
| Sector | Public |
| Country | United Kingdom |
| Start | 01/2024 |
| End | 05/2024 |
| Description | PhD studentship |
| Amount | |
| Organisation | University of Strathclyde |
| Sector | Academic/University |
| Country | United Kingdom |
| Start | 09/2021 |
| End | 05/2025 |
| Title | Data for: "Filler-induced heterogeneous nucleation of polymer crystals investigated by molecular dynamics simulations" |
| Description | All of the simulations for this publication were performed with LAMMPS version lammps/intel-2020.4/29Sep2021 This dataset contains the input files for the publication "Filler-induced heterogeneous nucleation of polymer crystals investigated by molecular dynamics simulations" The folder structure splits into - two_wall_systems (contains surfaces (wall) potentials top and bottom of the simulation cell) and - bulk_systems (fully periodic without surfaces). Within each of these, there are "cooling" and "heating" subfolders, and these are further subdivided into cooling/heating rates. The subfolders include one or more of the following: 0.25Gamma0, 0.5Gamma0, Gamma0, 2Gamma0, 10Gamma0 which correspond to the rates in the paper, labelled similarly. The bulk_systems were only performed at the Gamma0 cooling and heating rate. In the bulk_systems, the folders are further subdivided indicating different chain stiffnesses, including - k1 (chain stiffness of ktheta=1) - k2 (chain stiffness of ktheta=2) - k2.4 (chain stiffness of ktheta=2.4) - k3 (chain stiffness of ktheta=3) - k4 (chain stiffness of ktheta=4) In the two_wall_systems, these folders are further subdivided indicating the chain stiffness and the wall interaction strength, for example: - k2.4_wall090 (chain stiffness of ktheta=2.4, wall strength epsilon_w=0.9) - k2.4_wall180 (chain stiffness of ktheta=2.4, wall strength epsilon_w=1.8) - k2.4_wall270 (chain stiffness of ktheta=2.4, wall strength epsilon_w=2.7) Note that for the surface simulations only systems with a chain stiffness of ktheta-2.4 were simulated. All simulations only require two files to run: 1) input file, named in.* 2) molecule template file, named *.txt or a data file named data.* The input file details simulation box dimensions, geometry and forcefield potentials as well as which ensemble to perform the molecular dynamics simulations in. The molecule template file details the coordinates of all beads that make up a single polymer chain. A data file will be generated at the end of the simulation. A lammps trajectory file will also be produced using unwrapped coordinates. For example, to find the files corresponding to a bulk system with a chain stiffness of k=3, cooling down at a rate of Gamma0, the directory path is: bulk_systems > cooling > Gamma0 > k3 > {chainfinaltest.txt, in.cool} where in.cool is the input file and chainfinaltest.txt is the molecule template file. As a second example, to find the files corresponding to a surface system with a chain stiffness of k=2.4 and a wall strength of 1.8, heating at a rate of 2Gamma0, the directory path is: two_wall_systems > heating > 2Gamma0 > k2.4_wall180 > {data.quench_npt, in.heat} where in.heat is the input file and data.quench_npt is the data file. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| Impact | This has led to follow on simulations, and an Accelerated Knowledge Transfer partnership with Ingevity UK (paperwork pending). |
| URL | https://pureportal.strath.ac.uk/en/datasets/c0f35a36-4f34-4548-b710-30ed929614a6 |
| Title | Simulation details, force field parameters, and topology information for use in LAMMPS software for molecular dynamics simulations of polymer crystallisation at a surface |
| Description | This dataset provides input files for LAMMPS open access molecular dynamics software ( https://www.lammps.org/ ) and contains simulation details, force field parameters, and topology information for polymer crystallisation at a surface that will enable a researcher to replicate the molecular dynamics simulations. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| Impact | This enables other researchers to reproduce simulation results. |
| URL | https://catalogue.ceh.ac.uk/id/25fc1140-07bf-424a-a32c-87dbba9c426a |
| Description | Barrier testing of PHB films |
| Organisation | University of Edinburgh |
| Department | School of Engineering |
| Country | United Kingdom |
| Sector | Academic/University |
| PI Contribution | Prof Grazia de Angelis will perform oxygen barrier measurements of our PHB composite films. |
| Collaborator Contribution | We have provided PHB films for testing. Prof de Angelis' group will perform oxygen permeation tests on rejuvenated PHB samples. |
| Impact | Results may result in a journal publication. |
| Start Year | 2024 |
| Description | PHB coated cellulose films |
| Organisation | University of Cambridge |
| Department | Department of Materials Science & Metallurgy |
| Country | United Kingdom |
| Sector | Academic/University |
| PI Contribution | Prof James Elliott's group have developed cellulose films as part of their UKRI Smart Sustainable Plastic Packaging project. To improve the water barrier we have coated the cellulose films with PHB-based formulations using solvent casting. |
| Collaborator Contribution | The partners have sent us their cellulose films for coating. |
| Impact | We are still making the materials and taking measurements. There are plans to include this in a future publication. |
| Start Year | 2023 |
| Description | Accelerate Programme 2022 - Widening Access Summer School |
| Form Of Engagement Activity | Participation in an activity, workshop or similar |
| Part Of Official Scheme? | No |
| Geographic Reach | Local |
| Primary Audience | Schools |
| Results and Impact | Accelerate is a one-week programme, run by the University of Strathclyde, for pupils who have just gone into S5 or S6 and are thinking about going to university. It aims to provide a targeted focus on the pupils' chosen area of academic interest, giving them a head start on the road to their chosen career. Pupils discovered how we use chemical engineering processes in the distilling industry, water treatment, carbon capture technologies, and environmental sustainability. Through practical experiments, the challenge explored sustainable materials and synthesising bioplastics. The 10 pupils who took part in the programme did a lot of independent research into sustainable plastics. Feedback found that all participants felt they had learned a considerable amount about this subject and had a different attitude towards recycling and plastics. Karen presented a talk about the research project and compostable plastics, and showed samples of plastics and had a hands on activity where students could look at crystal structures using a polarised microscope. |
| Year(s) Of Engagement Activity | 2022,2023 |
| Description | Explorathon Extravaganza |
| Form Of Engagement Activity | Participation in an activity, workshop or similar |
| Part Of Official Scheme? | No |
| Geographic Reach | Local |
| Primary Audience | Public/other audiences |
| Results and Impact | Researchers from local Universities including Strathclyde, Glasgow, Glasgow Caledonian and Glasgow School of Art, were there to engage with the public about their world-leading research. At this public engagement event, the outreach volunteers had considerable interest in our bioplastic samples. There were questions about the future of sustainable materials. Much discussion was sparked through the 'plastic recycling' game - participants views were changed surrounding plastic recycling. |
| Year(s) Of Engagement Activity | 2022 |
| URL | https://www.strath.ac.uk/workwithus/publicengagement/explorathon/ |
| Description | Glasgow Science Festival 2022 |
| Form Of Engagement Activity | Participation in an activity, workshop or similar |
| Part Of Official Scheme? | No |
| Geographic Reach | Local |
| Primary Audience | Public/other audiences |
| Results and Impact | GSF popped up in the Riverside Museum from the 2nd to 12th of June 2022 with activities based on many themes including computing, the environment and social science, and at the Botanics from the 7th to 12th June 2022 with a range of activities linked to botany, health and wellbeing and sustainability. At both events we had a lot of interest in our 'bioplastic' samples, particularly from adults/parents. Lots of specific questions about the science and commercial availability of sustainable plastics. |
| Year(s) Of Engagement Activity | 2022 |
| URL | https://www.gla.ac.uk/events/sciencefestival/aboutus/previousglasgowsciencefestivals/gsf2022/ |
| Description | Outreach activity - Glasgow Science Centre's Curious about: innovation |
| Form Of Engagement Activity | Engagement focused website, blog or social media channel |
| Part Of Official Scheme? | No |
| Geographic Reach | Regional |
| Primary Audience | Public/other audiences |
| Results and Impact | A video was prepared that was hosted on Glasgow Science Centre's website: https://curiousabout.glasgowsciencecentre.org/innovation/ideas-studio/smart-sustainable-plastic-packaging/ and shared via social media. A related video is located here: https://curiousabout.glasgowsciencecentre.org/innovation/ideas-studio/potato-bioplastics/ These events were online during covid, due to restrictions in organising events and festivals. |
| Year(s) Of Engagement Activity | 2021 |
| URL | https://curiousabout.glasgowsciencecentre.org/innovation/ideas-studio/smart-sustainable-plastic-pack... |
| Description | Outreach activity - Glasgow Science Festival |
| Form Of Engagement Activity | Participation in an activity, workshop or similar |
| Part Of Official Scheme? | No |
| Geographic Reach | Local |
| Primary Audience | Public/other audiences |
| Results and Impact | Together with Really Small Science, we presented a hands on activity on sustainable plastics as part of Glasgow Science Festival, Sept 2021 which focused on environmental issues in the lead up to COP26, hosted in Glasgow. This raised awareness about the issues of plastic pollution and this project's work on the development of composable plastics. There was a hands on activity to make a plastic from potato starch. This activity can be presented in schools and future events. |
| Year(s) Of Engagement Activity | 2021 |
| URL | https://www.gla.ac.uk/events/sciencefestival/gsf2021/ |
| Description | Smart Sustainable Plastic Packaging "Shaping the Future of Plastics Research" Workshop organisation |
| Form Of Engagement Activity | Participation in an activity, workshop or similar |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Industry/Business |
| Results and Impact | A workshop was organised at the University of Strathclyde. There were research presentations by four academic groups with SSPP funding, followed by discussion sessions led by perspective talks, aimed at faciliting discussions between academic researchers and industry/business participants. |
| Year(s) Of Engagement Activity | 2024 |
| Description | Young Chemical Ambassador 2022 |
| Form Of Engagement Activity | Participation in an activity, workshop or similar |
| Part Of Official Scheme? | No |
| Geographic Reach | Local |
| Primary Audience | Schools |
| Results and Impact | 10 pupils (aged 14) took part in a 1-month chemical engineering project based around sustainable polymer research. Led by a PhD mentor who is currently researching sustainable polymers, the pupils ran experiments and did independent research into this topic. The results of their project were collated into a presentation which was delivered to their classmates (30 pupils). |
| Year(s) Of Engagement Activity | 2022 |
