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Multiphase dynamic flash simulations using entropy maximization and application to compressible flow with phase change
Author(s) -
Qiu Lu,
Wang Yue,
Reitz Rolf D.
Publication year - 2014
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.14519
Subject(s) - solver , entropy maximization , multiphase flow , mechanics , classification of discontinuities , isochoric process , shock wave , thermodynamics , maximization , statistical physics , compressibility , mathematics , computer science , physics , mathematical optimization , principle of maximum entropy , mathematical analysis , artificial intelligence
A isochoric‐isoenergetic flash solver using a direct entropy maximization principle for phase splitting and Gibbs free energy minimization for phase stability is developed. The solver searches for the global stable state in a rigorous and thermodynamically consistent way. The solver is demonstrated to be robust and efficient to handle multiphase flash, even in the vicinity of phase boundaries. Dynamic flash computations and gas dynamics simulations of shock waves are considered for pure ethylene and for binary ethylene‐nitrogen mixtures. The simulations show significantly different shock wave characteristics when phase separation is considered due to intensive energy exchange, compared to the frozen flow limiting single‐phase solution. © 2014 American Institute of Chemical Engineers AIChE J , 60: 3013–3024, 2014