Browsing by Author "Gaitero, Juan J."
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Item Effect of addition of silica- and amine functionalized silica-nanoparticles on the microstructure of calcium silicate hydrate (C-S-H) gel(2015-07-05) Monasterio, Manuel; Gaitero, Juan J.; Erkizia, Edurne; Guerrero Bustos, Ana M.; Miccio, Luis A.; Dolado, Jorge S.; Cerveny, Silvina; Tecnalia Research & Innovation; ECOEFICIENCIA DE PRODUCTOS DE CONSTRUCCIÓNIn this work we study the influence of adding nano-silica (SiO2, Nyasil™) and aminopropyl (-(CH2)3-NH2,) functionalized silica nanoparticles (Stoga) during the synthesis of calcium-silicate-hydrate (C-S-H gel). Characterization by solid state 29Si NMR and ATR-FTIR spectroscopy showed that the addition of both particle types increases the average length of the silicate chains in C-S-H gel being this effect slightly more important in the case of Stoga particles. In addition, 13C NMR and XPS confirmed that the aminopropyl chain remains in the final product cleaved to silicon atoms at the end of the silicate chain of C-S-H gel whereas XRD measurements showed that this result in an increment in the basal distance compared with ordinary CSH. In addition, the dynamics of water within the pores of C-S-H gel was analyzed by broadband dielectric spectroscopy. We observed that water confined in C-S-H formed with the addition of nanoparticles is faster than that in plain C-S-H which can be related to a different porous structure in these materials.Item Effect of chemical environment on the dynamics of water confined in calcium silicate minerals: Natural and synthetic tobermorite(2015-05-05) Monasterio, Manuel; Gaitero, Juan J.; Manzano, Hegoi; Dolado, Jorge S.; Cerveny, Silvina; Tecnalia Research & Innovation; ECOEFICIENCIA DE PRODUCTOS DE CONSTRUCCIÓNConfined water in the slit mesopores of the mineral tobermorite provides an excellent model system for analyzing the dynamic properties of water confined in cement-like materials. In this work, we use broadband dielectric spectroscopy (BDS) to analyze the dynamic of water entrapped in this crystalline material. Two samples, one natural and one synthetic, were analyzed, and despite their similar structure, the motion of confined water in their zeolitic cavity displays considerably different behavior. The water dynamics splits into two different behaviors depending on the chemical nature of the otherwise identical structural environment: water molecules located in areas where the primary building units are SiO4 relax slowly compared to water molecules located in cavities built with both AlO4 and SiO4. Compared to water confined in regular porous systems, water restricted in tobermorite is slower, indicating that the mesopore structure induces high disorder in the water structure. A comparison with water confined in the C-S-H gel is also discussed in this work. The strong dynamical changes in water due to the presence of aluminum might have important implications in the chemical transport of ions within hydrated calcium silicates, a process that governs the leaching and chemical degradation of cement.Item KIMERA: A Kinetic Montecarlo Code for Mineral Dissolution: A kinetic montecarlo code for mineral dissolution(2020-09-18) Martin, Pablo; Gaitero, Juan J.; Dolado, Jorge S.; Manzano, Hegoi; Tecnalia Research & Innovation; ECOEFICIENCIA DE PRODUCTOS DE CONSTRUCCIÓNKIMERA is a scientific tool for the study of mineral dissolution. It implements a reversible Kinetic Monte Carlo (KMC) method to study the time evolution of a dissolving system, obtaining the dissolution rate and information about the atomic scale dissolution mechanisms. KIMERA allows to define the dissolution process in multiple ways, using a wide diversity of event types to mimic the dissolution reactions, and define the mineral structure in great detail, including topographic defects, dislocations, and point defects. Therefore, KIMERA ensures to perform numerous studies with great versatility. In addition, it offers a good performance thanks to its parallelization and efficient algorithms within the KMC method. In this manuscript, we present the code features and show some examples of its capabilities. KIMERA is controllable via user commands, it is written in object-oriented C++, and it is distributed as open-source software.Item Ultra-Fast Supercritical Hydrothermal Synthesis of Tobermorite under Thermodynamically Metastable Conditions(2017-03-13) Diez-Garcia, Marta; Gaitero, Juan J.; Dolado, Jorge S.; Aymonier, Cyril; Tecnalia Research & Innovation; ECOEFICIENCIA DE PRODUCTOS DE CONSTRUCCIÓNTobermorite is a fibrillar mineral of the family of calcium silicates. In spite of not being abundant in nature, its structure and properties are reasonably well known because of its interest in the construction industry. Currently, tobermorite is synthesized by hydrothermal methods at mild temperatures. The problem is that such processes are very slow (>5 h) and temperature cannot be increased to speed them up because tobermorite is metastable over 130 °C. Furthermore the product obtained is generally foil-like and not very crystalline. Herein we propose an alternative synthesis method based on the use of a continuous flow reactor and supercritical water. In spite of the high temperature, the transformation of tobermorite to more stable phases can be prevented by accurately controlling the reaction time. As a result, highly crystalline fibrillar tobermorite can be obtained in just a few seconds under thermodynamically metastable conditions.