2026-03-12T08:08:18Z https://jaxa.repo.nii.ac.jp/oai

oai:jaxa.repo.nii.ac.jp:00049043 2023-06-20T18:36:41Z 1887:1893 9:1090:2217:2238

JEQUIL: Thermodynamic Equilibrium Calculation Program 宇宙航空研究開発機構, (JAXA) Japan Aerospace Exploration Agency, (JAXA) This manual describes the theoretical methods used by the JQUIL software to perform thermodynamic equilibrium calculations and the numerical algorithms used to solve them. The equilibrium state is calculated by minimizing the Gibbs free energy of the reaction system. Lagrange multipliers called element potentials are used to minimize the Gibbs free energy while satisfying the constraints of the atomic population. In the minimization, initial values are calculated by an algorithm based on the simplex method, and the solution is obtained by solving the dual problem under the constraints of the atomic population and the mole fractions of the phase. 資料番号: AA2230013000 レポート番号: JAXA-RM-22-005E 宇宙航空研究開発機構(JAXA) Japan Aerospace Exploration Agency (JAXA) 2023-01-20 eng technical report VoR https://doi.org/10.20637/00049026 https://jaxa.repo.nii.ac.jp/records/49043 10.20637/00049026 2433-2224 宇宙航空研究開発機構研究開発資料 JAXA Research and Development Memorandum JAXA-RM-22-005E 1 20 https://jaxa.repo.nii.ac.jp/record/49043/files/AA2230013000.pdf application/pdf 897.7 kB 2023-01-20