Thermodynamics of the production of condensed phases in the chemical vapor deposition of ZrC in the ZrCl₄-CH₄-H₂-Ar system

Production conditions of ZrC, Zr and C(graphite) condensed phases in the chemical vapor deposition process with ZrCl₄-CH₄-H ₂-Ar precursor system have been investigated based on thermodynamic analyses using the FactSage code. The yields of condensed phases have been examined as functions of the injected reactant ratios of ZrCl ₄/(ZrCl₄ + CH₄), H₂/(ZrCl ₄ + CH₄) and Ar/(ZrCl₄ + CH₄), the temperature and the pressure. The results show that the yields strongly depend on the molar ratios of the ZrCl₄/(ZrCl₄ + CH₄) and H₂/(ZrCl₄ + CH₄) injected reactant and on the temperature, but are insensitive to the inert gas Ar ratio and pressure. The co-deposition of ZrC with Zr or C(graphite) can be easily controlled by changing the ratios of ZrCl₄/CH₄ and H₂/ (ZrCl₄ + CH₄). Process conditions such as high input amount of H₂, relatively low amount of Ar, low pressure and temperature above 1300 K are favorable for the deposition of ZrC. The results of this work will be helpful for further experimental investigation on different deposition conditions.