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V. N. Derevianko, N. V. Kondratieva, H. M. Hryshko, M. A. Sanytsky
«Modelling the Mechanism of Mineral-Binders’ Hydration Processes in a Macro–Micro–Nanosystem»
PACS numbers: 61.46.-w, 62.23.-c, 81.05.Zx, 81.07.-b, 81.16.-c, 82.33.Pt, 83.60.Pq
Today, the topical issue is the development of a model of mineral binders’ hydration processes that would allow taking into account the most initial parameters and characteristics, conditions, and the mechanism of the hydration process. Developing this model requires a large amount of information. Most models only allow for the effect of original components. Besides, with the acquired properties, the optimization process becomes complicated due to the increase in a number of models in connection with the application of optimality criteria for the relative properties. Moreover, due to the fact that there is no specified ratio of components topochemically hydrated in the gypsum system under a solution-based scheme, the hydration process becomes more complicated. Thus, to develop the model, we should justify a large number of assumptions. Besides, selecting the optimality criteria by indirect indicators does not give a clear picture of the intended end use of the model. We should also take into account a scaling level and a relationship between the macro-, micro-, and nanoscales. Modelling of mineral binders’ hydration processes is presented in the form of a system that changes over time and undergoes macro- to microscale, micro- to nanoscale, nano- to microscale, and micro- to macroscale stages, using a direct model as an example. The transition from a macrosystem and a microsystem to a nanosystem with the formation of a dispersion medium is presented in the form of a surface consisting of nanoparticles in the multidimensional phase space. The surface is the interface between the structural elements and the dispersion medium. The second surface is the interface between the dispersion medium and the hardened structure. At the interface, a partial transition from macro- and microsystems to a nanosystem occurs as well as a topochemical reaction of calcium-sulphate transition from hemihydrate to dihydrate. The most high-strength skeleton frame can be developed by adjusting the values of solid surface and crystallization nuclei, which affect the initial three-dimensional structure and the formation of a durable framework. The internal stresses leading to softening of a structure that has not been yet formed do not arise because the blocks’ splicing occurs in a free space. Chemical potential is a unit to measure a change in a characteristic function at constant parameters and mass fractions (concentrations) of all substances except the mass fraction (concentration) of a component, the amount of which varies in the system. If the hydration process is topochemical, structure formation rate will be dependent on particle-size distribution and intraparticle diffusion rate.
Keywords: hydration, mineral binders, nanosystem, hardened structure, modelling
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