Yoshi Marien tenure track asst. professor

Research Yoshi Marien

Research team

Expertise

My research focuses on polymer production and recycling. Key focus areas are (i) polymerization in homogeneous and aqueous dispersed phase systems, including the use of biobased or/and recycled monomers, (ii) the design of multifunctional polymeric composites, and (iii) chemical recycling via depolymerization. Process and material design are performed using both experimental techniques as well as multi-scale simulations and machine learning.

Molecular simulations to advance the circular design of thermoset polyurethanes (MOSA-PUR). 01/10/2026 - 30/09/2030

Abstract

Polyurethanes are versatile materials essential for modern comfort and insulation, but their complexity poses major challenges for circularity due to the diversity of (macro)monomers used. Recent efforts in chemical depolymerization revealed that the variety of polyols and isocyanates complicates separation, and reliable thermodynamic data for these (macro)monomers and derivatives are absent. As a result, predicting recoverability of the macromonomers remains impossible. Moreover, typical analytical descriptors for recycled resins are insufficient to ensure acceptance of high-recycled content in formulations. Discussions with polyol and polyurethane manufacturers show that even adapting virgin formulations is cumbersome, let alone for recycled resins, often leading to costly internal and external feedback loops, showing that structure-property relations in formulations are inadequately understood. To address this, MOSA-PUR develops a quantum-to-plant modeling workflow to elucidate structure–process–property relations, enabling optimized chemical recycling and more efficient formulation design. Kinetic insights are obtained via (conceptual) density functional theory, calibrated against advanced thermal analysis, feeding into kinetic Monte Carlo reaction engineering to predict polyol structures and depolymerization pathways. Thermodynamic data of (depolymerized) resins and molecular-scale physicochemical insights are generated via molecular dynamics, enabling process modeling and in-silico estimation of recycling process energy—an unprecedented step. To facilitate the translation to industrially relevant software, MOSA-PUR will build surrogate models trained on a variety of experimental and multi-scale modeling outputs. 1747 / 2000

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Funding

  • FWO

Project type(s)

  • Research Project

The quest for tolerance in reformulations of depolymerized resins 01/06/2026 - 31/05/2028

Abstract

This project studies the tolerances of circular formulations of niche applications for polymers with regard to molecular deviations from the original pure monomers. After depolymerization (as a form of recycling), it is difficult to achieve very high purities without a significant loss of recycling efficiency. Currently, many building blocks in recycled resins are indeed reactive or functional, which means that a good match must be found between application and composition. This project will uncover such relationships for PMMA recycling as a first, and polyamides as a second case study, given the industrial importance of these types of polymers.

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Funding

  • BOF

Project type(s)

  • Research Project

Process-structure-property relationships for a new class of biobased acrylic coatings. 01/04/2026 - 31/03/2030

Abstract

Acrylic resins are widely used as binder in coatings. A key sustainability goal for the production of this important class of polymer resins is to shift from non-renewable fossil-based to renewable (e.g. biobased) resources. To achieve this goal, two major challenges need to be addressed. First of all, new efficient production routes for acrylic resins containing a mix of different biobased functional units need to be developed. Secondly, a detailed understanding of the relationship between (i) the process conditions applied during production of the resin (and curing of the coating), (ii) the macromolecular structure (before and after curing) and (iii) the (cured) coating properties, needs to be obtained. Focusing on solvent-borne coatings, solutions for these two challenges are provided in this project by (i) introducing new functionalization strategies for biobased acrylic platform monomers and (ii) systematically unravelling process-structure-property relationships via a newly developed multiscale machine learning supported workflow.

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Funding

  • BOF

Project type(s)

  • Research Project

PA-Link: creation of an industrial raw material as missing link in the circular value chain for polyamides 10/10/2025 - 09/04/2027

Abstract

Polyamides are used as technical plastics by numerous medium sized companies in the production for e.g. parts of electric tools, vehicles, or aluminium windows. The complete value chain, from petrochemical via chemical building blocks (e.g. caprolactam) into finished products is strongly represented in the province Antwerp. Today the polyamide value chain is not circular. This project aims to sort polyamides out of complex mixed waste streams, by using chemical and spectral analysis, coupled with artificial intelligence. The polyamide waste stream can than be transformed into new installations designed for chemical recycling, another key industrial activity in Antwerp.

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Funding

  • PROV/STAD

Project type(s)

  • Research Project

Separation Technology to Refine and Improve Carbamate Thermolysis for polyurethane recycling. 01/05/2025 - 30/04/2026

Abstract

This project starts from the patented technology to produce isocyanate-rich resins directly from polyurethane waste, through a two-step process in which polyol recovery is coupled with thermolysis of the resulting carbamate fraction. This is strategically very important to obtain the independence of the recycling market from phosgene plants. Previous research within iPRACS allowed obtaining high conversion and reasonable yields of isocyanate on a small scale in batch reactors, and a glimpse into the potential value of the reactive resins formed. Currently, chemical knowledge regarding reaction pathways is being completed (thanks to an ongoing PhD). Although the technology shows promise, some knowledge gaps stand in the way of subsequent scale-up. First, we need to better understand thermolysis kinetics to minimize side reactions, and we wish to optimize the in-silico separation to obtain higher yields of isocyanate monomers. We aim to do this in the present project proposal, using applied computational chemistry, kinetic models and thermodynamic process simulations. In addition, we are working toward an initial scale-up to a semi-continuous reactor setup to increase the yield and quality of valuable isocyanate resins.

Researcher(s)

Research team(s)

Funding

  • IOF

Project type(s)

  • Research Project