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Polymer Informatics Tools for Sustainable 3D printing

Project description

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.

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.

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Programme(s)

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Topic(s)

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Funding Scheme

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HORIZON-TMA-MSCA-PF-EF - HORIZON TMA MSCA Postdoctoral Fellowships - European Fellowships

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Call for proposal

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(opens in new window) HORIZON-MSCA-2022-PF-01

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Coordinator

UNIVERSIDAD DE CADIZ
Net EU contribution

Net EU financial contribution. The sum of money that the participant receives, deducted by the EU contribution to its linked third party. It considers the distribution of the EU financial contribution between direct beneficiaries of the project and other types of participants, like third-party participants.

€ 137 760,80
Address
CENTRO CULTURAL REINA SOFIA PASEO CARLOS III N9
11003 Cadiz
Spain

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Region
Sur Andalucía Cádiz
Activity type
Higher or Secondary Education Establishments
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Total cost

The total costs incurred by this organisation to participate in the project, including direct and indirect costs. This amount is a subset of the overall project budget.

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