A mathematical model of changes in the composition of grains during cooling a two-component melt

The growth of individual grains of a solid phase during cooling liquid melt has been studied. During cooling, the compositions of the liquid and solid phases and the equilibrium conditions change. Therefore, each subsequent layer, “freezing” on the grain, will have a slightly different composition. This paper proposes a method for calculating the structure of the grain changes with increasing distance from the center. Corresponding mathematical model has been created. It is based on the following assumptions. Growing grains are considered as spherical. The temperature alignment in the system and the composition alignment in the liquid phase occur instantly. The alignment of the solid phase composition does not occur. Also, it is assumed that local equilibrium of the liquid phase with the solid phase on the grain surface is observed at any temperature. The characteristics of this local equilibrium can be found out from the corresponding equilibrium state diagram. The balance equation of phase masses and masses of their components at infinitesimal temperature decrease was made. It was assumed that the local equilibrium of the liquid phase and the infinitely thin layer of the solid phase, formed during this decrease in temperature, is observed. Taking to the limits, we have obtained a differential equation describing the investigated process. The solution of this equation has been obtained in the form of the solid phase mass as an integral function of the temperature. The grain composition depending on the distance from its center is obtained in the form of parametric functions expressing the radius of the current grain point and its composition at this point depending on the temperature. A computer program for the calculation of the mathematical model equations have been created. To use the model, it is needed to know the composition of the initial melt, the average density of the solid phase and the equations of the liquidus and solidus lines in the form of functions of concentration vs the temperature. An example of the calculation is presented.