Inverse chemical equilibrium problems: General formulation and algorithm
Chemical Engineering Science(2022)
摘要
•Chemical equilibrium problems can be classified as forward or inverse problems.•Temperature, pressure, and element amounts are inputs in the forward problems.•In an inverse chemical equilibrium problem, one or more of these are unknown.•Equilibrium constraints must be given to fully resolve the equilibrium state.•We present an algorithm for solving inverse chemical equilibrium problems.
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关键词
Chemical equilibrium,Gibbs energy minimization,Equilibrium constraints,Inverse chemical equilibrium problem
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