Thermodynamic Analysis and Synthesis of Zirconium Nitride by Thermal Nitridation of Sol-Gel Zirconium Oxide

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 o...

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Bibliographic Details
Published in:Chemistry of materials 1994-07, Vol.6 (7), p.918-926
Main Authors: Tan, Beng Jit, Xiao, Youming, Galasso, Francis S, Suib, Steven L
Format: Article
Language:English
Subjects:
360202 - Ceramics, Cermets, & Refractories- Structure & Phase Studies
400201 - Chemical & Physicochemical Properties
ALKANES
AMMONIA
CHALCOGENIDES
CHEMICAL PREPARATION
CHEMICAL REACTIONS
Chemistry
COMPUTER CODES
Elements and non-metal compounds (oxides, hydroxides, hydrides, sulfides, carbides, ...)
Exact sciences and technology
HYDRIDES
HYDROCARBONS
HYDROGEN COMPOUNDS
Inorganic chemistry and origins of life
INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY
MATERIALS SCIENCE
METHANE
NITRIDATION
NITRIDES
NITROGEN COMPOUNDS
NITROGEN HYDRIDES
ORGANIC COMPOUNDS
OXIDES
OXYGEN COMPOUNDS
PHYSICAL PROPERTIES
PNICTIDES
Preparations and properties
SOL-GEL PROCESS
SYNTHESIS
THERMODYNAMIC PROPERTIES
TRANSITION ELEMENT COMPOUNDS
ZIRCONIUM COMPOUNDS
ZIRCONIUM NITRIDES
ZIRCONIUM OXIDES
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Summary: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.
ISSN:0897-4756
1520-5002
DOI:10.1021/cm00043a010