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Atomistic understanding of biomass interaction with hydrotreating catalysts 

The development of catalysts to upgrade renewable feedstocks is vital for a sustainable future. Alternative feedstocks typically differ in chemical composition compared to fossil-based feedstocks and to further develop catalytic materials that enable efficient and environmentally friendly chemical processes, it is necessary to understand the functional mechanisms of these materials in detail.The high oxygen content […]

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Defibrillation of cellulosic substrates by novel bio-based ionic liquids 

New bio-based ionic liquids were developed as a greener and simple pathway for the activation of cellulosic substrates compatible with chemical modification (such as in situ polymerization). Preliminary experiments showed that these ionic liquids promote swelling/dispersing/defibrillation/partial dissolution of cellulose while retaining cellulose I crystalline structure after regeneration (full dissolution is not achieved). To get a

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Theoretical study of lignin swelling in atomistic details

In this project vi use molecular dynamics (MD) simulations to investigate hygroscopic properties of various lignins. Our hope is that structure and dynamics on the atomistic level of details will complement existing macromechanical models. The goal is to test existing atomistic models of lignin subject to its interactions with water. The output of the project

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Molecular Basis of the Interactions and Recalcitrance of Lignocellulosic Biomass

Lignocellulosic biomass represents the main renewable resource from the biosphere for the production of biofuels, platform chemicals and bio-based materials. Lignocellulose consists of a complex polymeric network of cellulose microfibrils embedded in a matrix of hemicelluloses, pectins, and lignins with exquisite organization from the nano- to the microscale. However, the heterogeneity of the lignocellulose polymeric

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Functional lignin nanomaterials

This is a umbrella theme of research carried out in Sustainable Materials Chemistry (SUSMATCHEM) research group in Stockholm University. We aim to make most out of lignin with minimal processing and chemical modification according to the principles of green chemistry. In addition to fundamental studies of structure and properties of lignin and lignin nanoparticles, we

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