Cellular automata for simulation of crystallization in different mediums
Advancing the chemical engineering fundamentals
Crystallization (T2-9P)
Keywords: crystallization, cellular automation, mathematical modeling,
This work is devoted to the creation of software for the researching and simulating of crystallization processes in different mediums. The crystallization processes need high level of technology and the strict observance of all demands for process parameters. Carrying out of sufficient investigations in this field is important for making and perfection of modern effective techniques of crystal growth. Theoretical research takes place in present work by mathematical models.
The mathematical models of crystallization process in different mediums are developed by way of cellular automation. Theory of cellular automation lies in the base of simulation. The cellular automation is an instrument for the simulation of processes and phenomenon, existent in open systems, where processes have liminal character. Cellular automations are mathematical models of system, which describe its evolution. The cellular automation is net, that consist of elements (cells) that change their state in the discrete points of time, conform to the law in the dependence of past element state and its closest neighbors by net.
Mathematical model of ammonium chloride crystal growth from solution by cellular automation theory was developed. Optimal process parameters were defined. Influence of turbulization on crystal growth was investigated by developed cellular automation model.
Mathematical model of glass producing was developed in this work, which gives representation about phenomena, taking place in the glass production processes. This model allows to calculate an optimum composition, processing and cooling regimes for obtaining of optically homogeneous or nonhomogeneous glass. This model also ensures clearing out of dependency of liquation ability from prescribed process parameters.
Mathematical model of iron crystallization process in mesoporous silicon dioxide matrix was developed by means of cellular automation. In view of incompleteness of process information we set up hypotheses about nanomaterial production processes. They are the hypotheses about initial and boundary conditions, hypotheses of iron crystallization, hypotheses about particle diffusion in porous. The cellular automata model allows to monitor the evolution of iron nanothread formation and melting in pores.
Cellular automation theory for describing of micro-, macro- and nanostate crystallization processes was developed. Theoretical approach for describing of crystallizing solution turbulent mixing was developed. Growth mechanisms of ammonium chloride crystal in conditions of rest and turbulent mixing, mechanisms of glass crystallization processes, mechanisms of Fe-nanothread crystallization and melting in silicon dioxide nanoporous were researched.
The work was carried out under support of grant RFBR № 05-08-18001.
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Presented Wednesday 19, 13:30 to 15:00, in session Crystallization (T2-9P).
