FLASK-SG: a program to compute chemical equilibria in metamorphic petrology
作者： Naoto Takeno
DOI: 10.1016/S0098-3004(01)00031-0
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摘要: Abstract Chemical equilibrium calculation program for metamorphic petrology, FLASK-SG, was written Unix variants (Linux, IRIX, Tru64 UNIX). It is also ported to Windows 95/98. The user specifies a temperature, pressure, and substance amounts (in moles of any chemical formula in C–H–O–Si–Al–Ti–Fe–Mn–Mg–Ca–Na–K system) this program, then it calculates the stable mineral assemblage, amounts, gas composition under given conditions using Gibbs free energy minimization method with Holland Powell (1990) data set. Searching algorithm assemblage Metropolis Monte Carlo method. coding language C++, experimental object oriented programming style adopted make main part as class library. Model-dependent functions such fugacity coefficients activities are implemented virtual methods “systems” class, so they can be easily changed inherited from class. These characteristics aimed future “simulation kit”.
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