Computer calculation of phase diagrams of Si-N-Cl-H, Si-C-Cl-H, and Al-N-Cl-H systems for syntheses of Si₃N₄, SiC and AlN

Using the SOLGAS-MIX computer program and the JANAF thermochemical data, the equilibrium phase diagrams of Si-N-Cl-H, Si-C-Cl-H and Al-N-Cl-H systems at 1473 K and 1 atmosphere have been constructed for syntheses of Si₃N₄, SiC and AlN. Based on these phase diagrams, the selection and the combination of the gaseous reactant chemicals have been discussed as well as the synthesis yields and total free energy change in these syntheses formation reactions. Desirable condition for these compound syntheses could be shown under equilibrium condition by the computer calculation using these phase diagram and the thermochemical data.