Project description DEENESFRITPL Computational tools for sustainable polymer design In a race to meet more sustainable goals in the polymer industry, three emerging topics are taking the lead: polymer informatics, biodegradable polymers and additive manufacturing. With the support of the Marie Skłodowska-Curie Actions programme, the PITS3D project aims to bring these three topics together. By designing a bottom-up computational approach for the production of two biodegradable polymers widely used in 3D printing, the project tackles the challenges related to the relationship between the structure, properties, processing and performance of these popular materials. The generic and open-access methodology developed by the project will facilitate digital polymer design. Moreover, it will accelerate the process of implementing computational tools into sustainable design practices. Show the project objective Hide the project objective Objective Polymer informatics supports sustainable development goals by implementing versatile computational tools which allow users to move the polymer design from the laboratory to the digital world.To connect the links between the structure, properties and performance of the polymer materials, many pieces of puzzle need to be collected over a wide range of time and length scales, starting from the quantum and progressing hierarchically towards continuous methods. Due to their relative novelty, systematic bottom-up approaches for biodegradable polymers are in short supply. Owing to their rich structure stemming from the natural origin, they need to be simulated with a great detail, what leads to an increased computational complexity and researchers’ frustration. Consequently, the computational studies struggle to keep pace with the emerging applications and technologies such as additive manufacturing. PITS3D project aims to speed up the progress in the field by proposing a systematic bottom-up study of two biodegradable polymers widely used in 3D printing techniques. The atomistic description of the local processes of the selected samples represents the first pillar of the approach. In the second stage, the computational study is extended to longer time and length scales, while going beyond the state-of-the-art by mimicking the characteristics of commercially-produced biodegradable polymers. By providing the simulation input files as open-source starting packs, PITS3D aims to encourage the further development of these computational tools. Another objective is to bridge a gap between the theoretically studied systems and those used for the 3D printing, by establishing an iterative passage of properties between the computational and experimental techniques. The combination of both approaches optimizes the use of resources, providing economic and ecological benefits and represents a unique training opportunity for the fellow as well as for the students of the host institute. Fields of science natural scienceschemical sciencespolymer sciencesengineering and technologymechanical engineeringmanufacturing engineeringadditive manufacturing Keywords biodegradable polymers molecular dynamics simulations rheology additive manufacturing Programme(s) HORIZON.1.2 - Marie Skłodowska-Curie Actions (MSCA) Main Programme Topic(s) HORIZON-MSCA-2022-PF-01-01 - MSCA Postdoctoral Fellowships 2022 Call for proposal HORIZON-MSCA-2022-PF-01 See other projects for this call Funding Scheme HORIZON-TMA-MSCA-PF-EF - HORIZON TMA MSCA Postdoctoral Fellowships - European Fellowships Coordinator UNIVERSIDAD DE CADIZ Net EU contribution € 137 760,80 Address CENTRO CULTURAL REINA SOFIA PASEO CARLOS III N9 11003 Cadiz Spain See on map Region Sur Andalucía Cádiz Activity type Higher or Secondary Education Establishments Links Contact the organisation Opens in new window Website Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Total cost No data Partners (1) Sort alphabetically Sort by Net EU contribution Expand all Collapse all IDRYMA TECHNOLOGIAS KAI EREVNAS Greece Net EU contribution € 0,00 Address N PLASTIRA STR 100 70013 Irakleio See on map Region Νησιά Αιγαίου Κρήτη Ηράκλειο Activity type Research Organisations Links Contact the organisation Opens in new window Website Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Total cost No data
