Browsing by Author "Koenders, E. A.B."
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Item 3D computational simulation of calcium leaching in cement matrices(2014-10-01) Gaitero, J. J.; Dolado, J. S.; Neuen, C.; Heber, F.; Koenders, E. A.B.; Tecnalia Research & Innovation; ECOEFICIENCIA DE PRODUCTOS DE CONSTRUCCIÓNCalcium leaching is a degradation process consisting in progressive dissolution of the cement paste by migration of calcium atoms to the aggressive solution. It is therefore, a complex phenomenon involving several phases and dissolution and diffusion processes simultaneously. Along this work, a new computational scheme for the simulation of the degradation process in three dimensions was developed and tested. The toolkit was used to simulate accelerated calcium leaching by a 6M ammonium nitrate solution in cement matrices. The obtained outputs were the three dimensional representation of the matrix and the physicochemical properties of individual phases as a consequence of the degradation process. This not only makes it possible to study the evolution of such properties as a function of time but also as a function of the position within the matrix. The obtained results are in good agreement with experimental values of the elastic modulus in degraded and undegraded samples.Item Nano to microlevel modeling of cement-based materials(2009) Koenders, E. A.B.; Dolado, J. S.; Van Breugel, K.; Porro, A.; Tecnalia Research & InnovationSynopsis: Recent developments in nanotechnology paved the way for deepening the modeling level of science-based kernels and enabling new opportunities in terms of understanding the formation of hydration products and their contribution to the microstructure. Based on these developments next generation models are considered to have the potential to design new advanced materials that contribute to sustainable construction. One of the activities currently running in this field is the Codice (Computationally Driven design of Innovative CEment-based materials) project which is a multi-scale modeling research project established within the European research arena FP7. The project has the ambition to bridge the nanoscale to the microscale by applying advanced computational simulation modeling techniques for cementitious materials. Nano-based models will be connected to the microscale level within the framework of the Hymostruc model. It is the objective of the CODICE project to provide more insight into the role of the fundamental building blocks of CSH gel (basically 5nm sized nanoparticles) and the mechanisms that govern their aggregation into high-density (HD) and low-density (LD) C-S-H varieties. Thus, the project aims to refine the microstructure of the Hymostruc model (Breugel 1991) so as to recognize the two types of C-S-H aggregates. The new computational scheme is expected to be a perfect tool to design new cementitious materials with improved mechanical properties.