Interest of thermochemical data bases linked to complex equilibria calculation codes for practical applications
| Autor: | A. Marbeuf, A. Frenk, G. Cenerino, Pierre-Yves Chevalier, C. Vahlas, Evelyne Fischer |
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| Přispěvatelé: | THERmodynamique et MAtériaux (THERMODATA), Institut National Polytechnique de Grenoble (INPG)-Thermodata-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Physique des Solides (LPS), Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de thermodynamique et physico-chimie métallurgiques (LTPCM), Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique de Grenoble (INPG) |
| Rok vydání: | 1993 |
| Předmět: |
010302 applied physics
complex equilibria calculation codes [INFO.INFO-DB]Computer Science [cs]/Databases [cs.DB] databases Chemistry [CHIM.MATE]Chemical Sciences/Material chemistry 02 engineering and technology 021001 nanoscience & nanotechnology 01 natural sciences Biochemistry thermodynamic 0103 physical sciences phase equilibria Physical chemistry 0210 nano-technology Humanities [CHIM.CHEM]Chemical Sciences/Cheminformatics |
| Zdroj: | Journal de Chimie Physique et de Physico-Chimie Biologique Journal de Chimie Physique et de Physico-Chimie Biologique, EDP Sciences, 1993, 90, pp.281-293. ⟨10.1051/jcp/1993900281⟩ |
| ISSN: | 0021-7689 |
| DOI: | 10.1051/jcp/1993900281 |
| Popis: | International audience; Since 1974, Thermodata has been working in developing an Integrated Information System in Inorganic Chemistry. A major effort was carried on the thermochemical data assessment of both pure substances and multicomponent solution phases. The available data bases are connected to powerful calculation codes (GEMINI = Gibbs Energy Minimizer), which allow to determine the thermodynamical equilibrium state in multicomponent systems. The high interest of such an approach is illustrated by recent applications in as various fields as semi-conductors, chemical vapor deposition, hard alloys and nuclear safety. |
| Databáze: | OpenAIRE |
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