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Rodrigues Curto, Joana Maria

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  • 3D computational simulation and experimental characterization of polymeric stochastic network materials : case studies in reinforced eucalyptus office paper and nanofibrous materials
    Publication . Curto, Joana Maria Rodrigues; Simões, Rogério Manuel dos Santos; Portugal, António Torres Garcia
    The properties of stochastic fibrous materials like paper and nanowebs are highly dependent on those fibers from which the network structure is made. This work contributes to a better understanding of the effect of fiber properties on the network structural properties, using an original 3D fibrous material model with experimental validation, and its application to different fibrous materials used in reinforced Eucalyptus office paper and nanofibrous networks. To establish the relationships between the fiber and the final structural material properties, an experimental laboratorial plan has been executed for a reinforced fibrous structure, and a physical based 3D model has been developed and implemented. The experimental plan was dedicated to an important Portuguese material: the reinforced Eucalyptus based office paper. Office paper is the principal Portuguese paper industry product. This paper is mainly produced from Eucalyptus globulus bleached kraft pulp with a small incorporation of a softwood pulp to increase paper strength. It is important to access the contribution of different reinforcement pulp fibers with different biometry and coarseness to the final paper properties. The two extremes of reinforcement pulps are represented by a Picea abies kraft softwood pulp, usually considered the best reinforcement fiber, and the Portuguese pine Pinus pinaster kraft pulp. Fiber flexibility was determined experimentally using the Steadman and Luner method with a computerized acquisition device. When comparing two reinforcement fibers, the information about fiber flexibility and biometry is determinant to predict paper properties. The values presented correspond to the two extremes of fibers available as reinforcement fibers, regarding wall thickness, beating ability and flexibility values. Pinus pinaster has the thickest fiber wall, and consequently it is less flexible than the thinner wall fibers: Pinus sylvestris and Picea abies. Experimental results for the evolutions of paper properties, like paper apparent density, air permeability, tensile and tear strength, together with fiber flexibility for the two reinforcement fibers, constitute valuable information, also applicable for other reinforcement fibers, with fiber walls dimensions in this range. After having quantified the influence of fiber flexibility, we identified that this is as a key physical property to be included in our structural model. Therefore, we chose to develop a 3D network model that includes fiber bending in the z direction as an important parameter. The inclusion of fiber flexibility was done for the first time by Niskanen, in a model known as the KCL-Pakka model. We propose an extension of this model, with improvements on the fiber model, as well as an original computational implementation. A simulator has been developed from scratch and the results have been validated experimentally using handmade laboratory structures made from Eucalyptus fibers (hardwood fibers), and also Pinus pinaster, Pinus Sylvestris and Picea abies fibers, which are representative reinforcement fibers. Finally, the model was modified and extended to obtain an original simulator to nanofibrous materials, which is also an important innovation. In the network model developed in this work, the structure is formed by the sequential deposition of fibers, which are modeled individually. The model includes key papermaking fiber properties like morphology, flexibility, and collapsibility and process operations such as fiber deposition, network forming or densification. For the first time, the model considers the fiber microstructure level, including lumen and fiber wall thickness, with a resolution up to 0.05μm for the paper material case and 0.05nm for the nanofibrous materials. The computational simulation model was used to perform simulation studies. In the case of paper materials, it was used to investigate the relative influence of fiber properties such as fiber flexibility, dimensions and collapsibility. The developed multiscale model gave realistic predictions and enabled us to link fiber microstructure and paper properties. In the case of nanofibrous materials, the 3D network model was modified and implemented for Polyamide-6 electrospun and cellulose nanowebs. The influence of computational fiber flexibility and dimensions was investigated. For the Polyamide-6 electrospun network experimental results were compared visually with simulation results and similar evolutions were observed. For cellulose nanowebs the simulation study used literature data to obtain the input information for the nanocellulose fibers. The design of computer experiments was done using a space filling design, namely the Latin hypercube sampling design, and the simulations results were organized and interpreted using regression trees. Both the experimental characterization, and computational modeling, contributed to study the relationships between the polymeric fibers and the network structure formed.