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Item type:Publication, Access status: with files , Solvent‐mediated self‐assembly and hydrogen bonding in neutral alginate: a molecular dynamics studyHydrogen bonding plays a pivotal yet often overlooked role in shaping the structure and dynamics of alginate‐based materials. In this study, we use molecular dynamics (MD) simulations to investigate how hydration and solvent environment influence the organization of neutral alginate at the molecular and mesoscale levels. Starting from short isolated chains and progressing toward periodic and entangled systems, we systematically vary water content and examine structural responses using radial and minimal distance distribution functions, as well as geometric analysis based on Alpha Shapes. We find that hydration transforms the polymer matrix from compact, rigid bundles into layered and porous nanostructures, with water acting not merely as a plasticizer but as an active mediator of hydrogen bonding. Even small amounts of water accelerate supramolecular aggregation and promote internal flexibility. At higher hydration, polymer–polymer contacts become more diffuse yet remain structurally coherent. A comparison with ethanol reveals solvent‐specific effects on porosity and tortuosity, while the functional surface composition remains robust across all conditions, closely reflecting the molecular stoichiometry of the polymer. These results provide a detailed molecular‐level understanding of solvent‐mediated self‐assembly in alginate and offer general design principles for soft, bioinspired materials where hydrogen bonding is the key structural motif.Publicationtype: Journal Article55 51 - Some of the metrics are blocked by yourconsent settings
Item type:Publication, Access status: with files , Wet milling of alginate alco‐ and hydrogel composites : a facile top‐down approach for continuous production of aerogel microparticlesMoving toward high-throughput production of biopolymer aerogelmicroparticles, in this work, the wet milling process is applied to hydrogelsand alcogels. Alcogels are then converted into aerogels by well-establishedsupercritical drying. Alginate and hybrid alginate/silica gels are used as amodel system. As the Young’s moduli of hydrogels significantly change whenwater is exchanged by ethanol, it is possible to study the effect of the gelstiffness on macroscopic and microstructural properties of the resultingaerogels. Influence of process parameters (milling speed and gap size) is alsoinvestigated. Smallest particles sizes and minimal changes in microstructureare obtained for completely solvent exchanged gels. The wet milling is shownto be a versatile method to obtain aerogel particles with diameters in therange 50–300μm.Publicationtype: Journal ArticleScopus© Citations 1 197 133 - Some of the metrics are blocked by yourconsent settings
Item type:Publication, Access status: without files , Impact of filler functionalisation on the crystallinity, thermal stability and mechanical properties of thermoplastic elastomer/carbon nanotube nanocomposites(Wiley Interscience, 2012-08-02); ; ; ; In the present work, the functionalisation of oxidised SWCNTs and MWCNTs is studied. The functionalised fillers are characterised by Raman spectroscopy and TGA. The functionalised fillers are dispersed in a PBT-PTMO thermoplastic elastomer matrix via in situ polymerisation. The functionalisation causes a fine filler dispersion right at beginning of nanocomposite manufacturing. The fillers act as nucleating agents for crystallisation and evidences for a grafting from PBT at the surface of the functionalised nanotubes are found. An outstanding reinforcement effect by the functionalised CNTs is confirmed by tensile tests. A new and facile functionalization of carbon nanotubes with 1,4-butanediol is proposed. The modified fillers could improve the mechanical properties of thermoplastic elastomers based on poly(butylene terephthalate co-tetramethylene oxide) multi-block copolymers. The nice dispersion and strong interfacial adhesion led to improved mechanical performance. Thermal analysis evidences the chemical coupling of poly(butylene terephthalate) at the functionalized nanoparticles surface. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.Publicationtype: Journal Article68