Automatic generation of global phase equilibrium diagrams for binary systems from equations of state
作者： Keyur S. Patel , Aydin K. Sunol
DOI: 10.1016/J.COMPCHEMENG.2009.03.004
关键词:
摘要: Abstract An automated and reliable procedure for systematic generation of global phase equilibrium diagrams (GPED) binary systems is proposed. The approach utilizes equation state, incorporates solid successful in type VI diagram. enables automatic GPED which calculations all important landmarks such as critical endpoints (CEP), quadruple point (QP, if any), azeotropic points (CAP), (AEP), pure (PAP), line, liquid–liquid–vapor line (L1L2V, solid–liquid–liquid (SL1L2, solid–liquid–vapor (SLV) line. proposed strategy completely general that it does not require any knowledge about the diagram can be applied to pressure explicit state model. overall methodology include predictor-corrector method tracing, homotopy continuation stability test, differentiation calculate derivatives trust region dogleg compute thermodynamic landmark points.
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