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- W2022976530 abstract "A theoretical procedure for investigating the effects of pressure, temperature and initial reactant composition on supercritical fluid reaction equilibrium is presented. The procedure involves a simultaneous solution of the reaction equilibrium and phase equilibrium equations. The prediction of reaction equilibrium is based on the minimization of Gibbs energy method. The Peng-Robinson equation is employed to describe the state of the reaction mixture. Simulated equilibrium conversion and yield plots are presented as a function of both pressure and temperature for three model reaction networks, viz., isomerization of n-hexane, isomerization of l-hexene and oxidation of isobutane. Simulated results compare well with reported experimental ones. Based on our theoretical procedure, some important criteria for rational evaluation of SCF solvents as potential reaction media are introduced." @default.
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- W2022976530 date "1988-01-01" @default.
- W2022976530 modified "2023-10-16" @default.
- W2022976530 title "Chemical reaction equilibrium at supercritical conditions" @default.
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