results

The computed results of the chemical model in the stationary and time-dependent mode are the distribution of the mass fraction of the transported species and the distribution of the solid species at the inerfaces. The solid species distribution is computed in dependence on the applied time model. In the stationary mode the deposition/etching rate of the species at the interface is computed. In the time-dependent mode the layer of the deposited/etched species is computed. The thickness of the deposited/etched solid layer is computed in micrometers while the deposition rate in the stationary mode is computed as a molar flux in Mol/m˛/s. The molar flux can be easily recomputed into the linear growth velocity by means of the molar mass and density of the deposited or etched solid species.

An example of the computational result for the transported species is shown in the figure below. One selects for this visualization the variables group chemistry and one of allocated variables in the species list. The continuum distribution of the liquid species can be visualizated by filled polygons and isolines.

Visualization of the computed distribution of the mass fraction of the liquid chemical species 

Figure 106.  Visualization of the computed distribution of the mass fraction of the liquid chemical species

The solid species which in opposite are located only along interfaces where heterogeneous reactions are defined are visualizated by special GUI means. This visualization is switched on by the Show/Hide Scalar fields button. The resulting visualization is demonstrated in the following figure.

Visualization of the computed distribution of the deposited layer thickness for solid species 

Figure 107.  Visualization of the computed distribution of the deposited layer thickness for solid species

The thickness profile along the interfaces is shown by the colored band. The distance of the band is set proportionally to the absolute value of the species value (deposited/etched rate for computation in the stationary mode and the layer thickness in the time-dependent mode). The color scale of the band corresponds also to the value of the solid species. Both profile height and the color are attached to the vertex at the region boundary where the solid species is allocated.

The keyboard buttons ">" and "<" can be used for scaling of the visualizated profile height everywhere. The color code of the profile is not affected by the up- and down- scaling.

The logarithmic scale can be applied to the visualization of the solid species profile by the same mean as for the continuum scalar fields. The maximum and minimum values of the visualizated solid species should be positive. Otherwise one selects the checkboxes manually and partial in the dialog window Options for Scalar Fields and limits the minimum and maximum values of the profile within of a positive range.

The storage and retrieval of the field values in the monitor points is available only for the transported (liquid) chemical species. They can be selected for analysis in the same way like all other field variables of CrysMAS. The monitor point function is (still) not available for the solid species.