Critical evaluation and thermodynamic optimization of the Si-N, Si-C, C-N and Si-C-N systems and its applications to high purity SiC production. Issue 12 (September 2022)

• Record Type: Journal Article
• Authors: You, Zhimin; Jiang, Zhouhua; Jung, In-Ho
• Is Part Of: Journal of the European Ceramic Society. Volume 42:Issue 12(2022)
• Page Start: 4793
• Page End: 4809
• Publication Date: 2022-09
• Subjects: ASA Auger spectroscopy analysis -- CA Chemical analysis -- CCM Calorimetry combustion method -- C-CTM Combustion-coulometric titration method -- C-IR-AM Combustion-infrared absorption method -- CPAA Charged particle activation analysis -- CT Czochralski technique -- CVD Chemical vapor deposition -- DA Direct analysis -- DSC Differential scanning calorimeter -- DSCM Drop solution calorimetry method -- DTA Differential thermal analysis -- EDX Energy dispersive X-ray spectroscopy -- EM Equilibration method -- EPMA Electron microprobe analysis -- FBCM Fluorine bomb calorimetry method -- GF-IAM Gas fusion-infrared absorption method -- GMA Gas micro-analysis -- HIP Hot isostatic pressing -- HTCA Heat transfer conductivity analysis -- HT-DSCM High-temperature drop solution calorimetry method -- ICM Ice calorimetry method -- IR-AM Infrared absorption method -- IR-TA Infrared transmission analysis -- IR-SM Infrared spectrophotometry method -- IR-MA Infrared microscopy analysis -- ITM Isotopic tracer method -- KEM Knudsen effusion method -- KM Kjeldahl method -- LFM Laser flash method -- LM Langmuir method -- MCM Massive calorimetry method -- MM Manometer measurement -- MPA Microprobe analysis -- MSE Microscopic examination -- OBCM Oxygen bomb calorimetry method -- QM Quenching method -- RA Resistivity analysis -- SEM Scanning electron microscope -- SHS Self-propagating high-temperature synthesis -- SIMS Secondary ion mass spectrometry -- SM Solubility method -- ST Sintering technique -- TG Thermogravimetric analysis -- VACM Vacuum adiabatic calorimetry method -- VFA Vacuum fusion analysis -- VM Volumetric method -- WT Weighing technique -- XRD X-ray diffraction -- XRS X-ray spectrometry; Thermodynamic optimization -- Si-C-N system -- Phase diagrams -- Thermodynamic properties -- SiC production; Ceramic materials -- Periodicals; Composite materials -- Periodicals; Matériaux céramiques -- Périodiques; Composites -- Périodiques; Ceramic materials; Composite materials; Periodicals; Electronic journals; 666.05
• DOI: 10.1016/j.jeurceramsoc.2022.05.011
• Languages: English
• ISSNs: 0955-2219

Abstract

Abstract: Thermodynamic optimization of the Si-N, Si-C, C-N and Si-C-N systems were performed using the CALculation of PHAse Diagrams (CALPHAD) method based on critical evaluation of all available experimental data. The liquid and solid solutions within the Si-C-N system were described using the Modified Quasichemical Model and Compound Energy Formalism, respectively. The Gibbs energies of β -Si3 N4 and β -SiC were carefully optimized to resolve inconsistencies among existing thermodynamic properties and phase equilibria data. The solubilities of C and N in both solid and liquid Si solutions were critically optimized. Besides, the solubility of N in β -SiC to form a narrow homogeneity range of β -Si(C, N) solid solution is considered for the first time in the present thermodynamic modeling. Based on the present thermodynamic database, experimentally unexplored phase diagrams and thermodynamic properties within the Si-C-N alloys were predicted. As an application of the database, the influences of various operation conditions on high purity SiC production using sublimation process were calculated.