Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

Thermodynamic analysis and synthesis of zirconium nitride by thermal nitridation of sol-gel zirconium oxide

Journal Article · · Chemistry of Materials; (United States)
DOI:https://doi.org/10.1021/cm00043a010· OSTI ID:6458633
; ; ;  [1]
  1. Univ. of Connecticut, Storrs, CT (United States)

Thermodynamic calculations were performed using the SOLGASMIX-PV computer program to predict the possibility of converting zirconia to zirconium nitride by thermal nitridation in the presence of methane and ammonia. Conversion diagrams were constructed for the ZrO[sub 2]-NH[sub 3]-CH[sub 4] system over a range of reaction conditions such as temperature, total system pressure, and reagent concentrations. Formation of pure ZrN phase was predicted in the range 1800-2000 K and total system pressures of 0.1-1.0 atm. It is shown experimentally, in the present work, that zirconium nitride can indeed by synthesized by thermal nitridation of zirconia using ammonia and methane at a reaction temperature much lower than that predicted by thermodynamic considerations alone. In addition, no deposition of carbon was observed at the lower temperatures employed during synthesis. Low pressure together with the introduction of excess hydrogen favors the conversion of zirconia to zirconium nitride as well as decrease the reaction temperature for conversion to take place. 28 refs., 13 figs., 2 tabs.

OSTI ID:
6458633
Journal Information:
Chemistry of Materials; (United States), Journal Name: Chemistry of Materials; (United States) Vol. 6:7; ISSN CMATEX; ISSN 0897-4756
Country of Publication:
United States
Language:
English