Berichte der Bunsengesellschaft für physikalische Chemie · 1984 · 21 citations · 8 references
Natural SciencesChemical EngineeringChemistryComputational ThermodynamicsPhysical ChemistryThermodynamicsChemical ThermodynamicsEquations Of StateHigh-pressure ThermodynamicsPhase EquilibriaPhase EquilibriumPhase RelationshipsBinary Phase EquilibriaCarbon DioxideHigh-pressure Equation Of StateHigh-pressure Phase DiagramsPhase Equilibria At High PressurePhase Equilibrium CalculationPhase Equilibrium ModelingPressure-temperature Relationships
Abstract A 1−4−12 association model for methanol is proposed and applied in the equation‐of‐state method to calculate high‐pressure phase equilibria. An equation of the van der Waals type is used. Tests are performed in systems containing methanol + methane, ethane, propane, butane, ethene, propene, nitrogen, carbon monoxide, hydrogen, carbon dioxide and hydrogen sulfide. One single adjustable parameter is used for a binary system; this parameter is temperature independent and is zero for mixtures of methanol with alkanes. The method yields satisfactory predictions except for carbon dioxide and hydrogen sulfide where association between unlike molecules should be taken into account. Critical pressures in binary systems are overestimated.
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A Simplex Method for Function Minimization
J. A. Nelder, R. Mead · The Computer Journal · 1965 · 28.9K citations